SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'PG4'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 HIS A 286
ALA A 123
HIS A 104
HIS A 105
ASP A  23
 PG4  A 403 ( 4.7A)
None
MN  A 402 (-3.5A)
PG4  A 403 (-4.5A)
MN  A 401 (-2.0A)
 1.08A 1a4lA-5o25A:
undetectable		 1a4lA-5o25A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 HIS A 286
ALA A 123
HIS A 104
HIS A 105
ASP A  23
 PG4  A 403 ( 4.7A)
None
MN  A 402 (-3.5A)
PG4  A 403 (-4.5A)
MN  A 401 (-2.0A)
 1.15A 1a4lC-5o25A:
undetectable		 1a4lC-5o25A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 HIS A 104
GLY A 285
HIS A  19
ASP A  80
ASP A 103
 MN  A 402 (-3.5A)
PG4  A 403 (-3.5A)
MN  A 401 (-3.5A)
MN  A 401 ( 2.6A)
None
 1.48A 1a4lD-5o25A:
undetectable		 1a4lD-5o25A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AEG_A_4APA296_1
(CYTOCHROME C
PEROXIDASE)		 3uve CARVEOL
DEHYDROGENASE
((+)-TRANS-CARVEOL
DEHYDROGENASE)
(Mycobacterium
avium) 		4 / 8 HIS A 195
GLY A 150
GLY A 153
LEU A 192
 None
None
PG4  A 305 ( 4.2A)
None
 0.74A 1aegA-3uveA:
undetectable		 1aegA-3uveA:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1B2I_A_AMHA84_1
(PROTEIN
(PLASMINOGEN))		 5uti QUEUINE
TRNA-RIBOSYLTRANSFER
ASE
(Zymomonas
mobilis) 		4 / 7 ASP A 315
GLU A 317
TRP A 296
PHE A 377
 None
PG4  A 405 (-3.8A)
PG4  A 405 (-3.8A)
None
 1.49A 1b2iA-5utiA:
undetectable		 1b2iA-5utiA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BSX_A_T3A1_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))		 3h41 NLP/P60 FAMILY
PROTEIN
(Bacillus
cereus) 		5 / 12 ILE A 215
ILE A 302
LEU A 214
LEU A 277
ILE A 253
 PG4  A   2 (-3.7A)
None
None
None
None
 1.15A 1bsxA-3h41A:
undetectable		 1bsxA-3h41A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BSX_B_T3B2_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))		 3h41 NLP/P60 FAMILY
PROTEIN
(Bacillus
cereus) 		5 / 12 ILE A 215
ILE A 302
LEU A 214
LEU A 277
ILE A 253
 PG4  A   2 (-3.7A)
None
None
None
None
 1.15A 1bsxB-3h41A:
undetectable		 1bsxB-3h41A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CRB_A_RTLA200_0
(CELLULAR RETINOL
BINDING PROTEIN)		 3ppb PUTATIVE TETR FAMILY
TRANSCRIPTION
REGULATOR
(Shewanella
loihica) 		5 / 12 PHE A 187
LEU A  81
ALA A  85
LEU A  88
ILE A 135
 PG4  A 216 (-4.7A)
None
PG4  A 216 ( 4.1A)
PG4  A 216 (-3.8A)
None
 0.90A 1crbA-3ppbA:
undetectable		 1crbA-3ppbA:
16.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CRB_A_RTLA200_0
(CELLULAR RETINOL
BINDING PROTEIN)		 3ppb PUTATIVE TETR FAMILY
TRANSCRIPTION
REGULATOR
(Shewanella
loihica) 		5 / 12 PHE A 187
LEU A  81
ALA A  85
MET A 124
ILE A 135
 PG4  A 216 (-4.7A)
None
PG4  A 216 ( 4.1A)
None
None
 1.08A 1crbA-3ppbA:
undetectable		 1crbA-3ppbA:
16.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4Y_A_TPVA501_2
(PROTEIN (HIV-1
PROTEASE))		 3a0u RESPONSE REGULATOR
(Thermotoga
maritima) 		4 / 8 ALA A  74
ILE A  77
VAL A  63
ILE A  67
 PG4  A 205 (-4.1A)
None
None
None
 0.46A 1d4yB-3a0uA:
undetectable		 1d4yB-3a0uA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2r44 UNCHARACTERIZED
PROTEIN
(Cytophaga
hutchinsonii) 		5 / 12 ILE A 296
ALA A 265
LYS A 290
THR A 241
ILE A 321
 None
None
PG4  A 338 ( 2.5A)
None
None
 1.08A 1ddsA-2r44A:
undetectable		 1ddsA-2r44A:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 2veo LIPASE A
(Moesziomyces
antarcticus) 		5 / 12 ILE A 150
ALA A 148
ILE A 301
PRO A 300
LEU A 305
 PG4  A1443 ( 4.1A)
None
None
None
None
 1.12A 1dhfA-2veoA:
undetectable		 1dhfA-2veoA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DLS_A_MTXA188_1
(DIHYDROFOLATE
REDUCTASE)		 2veo LIPASE A
(Moesziomyces
antarcticus) 		5 / 12 ILE A 150
ALA A 148
ILE A 301
PRO A 300
LEU A 305
 PG4  A1443 ( 4.1A)
None
None
None
None
 1.11A 1dlsA-2veoA:
undetectable		 1dlsA-2veoA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E3V_A_DXCA801_0
(STEROID
DELTA-ISOMERASE)		 3l77 SHORT-CHAIN ALCOHOL
DEHYDROGENASE
(Thermococcus
sibiricus) 		5 / 12 PHE A  92
TYR A 150
GLY A 186
VAL A 181
ASP A 138
 PG4  A 241 (-3.6A)
GOL  A 246 ( 4.4A)
PG4  A 241 ( 3.9A)
NJP  A 501 (-3.9A)
GOL  A 246 ( 2.4A)
 1.49A 1e3vA-3l77A:
undetectable		 1e3vA-3l77A:
19.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E7A_A_PFLA4001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		5 / 9 LEU A 547
ASN A 404
VAL A 423
GLY A 426
ALA A 529
 None
None
PG4  A 604 ( 4.9A)
None
None
 1.16A 1e7aA-5dqfA:
48.6		 1e7aA-5dqfA:
76.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EE2_A_CHDA1150_1
(ALCOHOL
DEHYDROGENASE)		 5di0 NATTERIN-LIKE
PROTEIN
(Danio
rerio) 		4 / 4 GLU A 113
MET A 116
LEU A  77
SER A  78
 PG4  A 416 (-3.4A)
None
None
PG4  A 416 ( 4.0A)
 1.45A 1ee2B-5di0A:
undetectable		 1ee2B-5di0A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EII_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN II)		 5xaw SODIUM CHANNEL
SUBUNIT BETA-4
(Homo
sapiens) 		5 / 12 ALA A  75
PHE A  76
LEU A 121
LEU A  79
ARG A 100
 PG4  A 202 ( 4.5A)
P33  A 201 ( 4.9A)
None
None
PG4  A 202 (-4.0A)
 1.38A 1eiiA-5xawA:
undetectable		 1eiiA-5xawA:
26.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1G60_B_SAMB501_0
(ADENINE-SPECIFIC
METHYLTRANSFERASE
MBOIIA)		 4gl0 LMO0810 PROTEIN
(Listeria
monocytogenes) 		5 / 12 ASN A 274
ILE A  46
PRO A  48
PHE A  54
TYR A  64
 None
None
PG4  A 502 (-4.4A)
None
PG4  A 502 ( 4.0A)
 1.03A 1g60B-4gl0A:
undetectable		 1g60B-4gl0A:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GSE_B_EAAB224_1
(GLUTATHIONE
TRANSFERASE)		 4m0m PUTATIVE
UNCHARACTERIZED
PROTEIN
(Legionella
pneumophila) 		5 / 12 TYR A 624
LEU A 464
VAL A 467
MET A 486
LEU A 482
 PG4  A 803 (-4.1A)
None
None
None
None
 1.05A 1gseB-4m0mA:
undetectable		 1gseB-4m0mA:
15.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GSF_A_EAAA223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 4ke4 HYDROXYCINNAMOYL-COA
:SHIKIMATE
HYDROXYCINNAMOYL
TRANSFERASE
(Sorghum
bicolor) 		4 / 8 GLY A 413
LEU A 433
VAL A 277
PHE A 416
 None
None
None
PG4  A 501 (-4.6A)
 1.15A 1gsfA-4ke4A:
undetectable		 1gsfA-4ke4A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GSF_B_EAAB223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 4ke4 HYDROXYCINNAMOYL-COA
:SHIKIMATE
HYDROXYCINNAMOYL
TRANSFERASE
(Sorghum
bicolor) 		4 / 8 GLY A 413
LEU A 433
VAL A 277
PHE A 416
 None
None
None
PG4  A 501 (-4.6A)
 1.16A 1gsfB-4ke4A:
undetectable		 1gsfB-4ke4A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GSF_D_EAAD223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 4ke4 HYDROXYCINNAMOYL-COA
:SHIKIMATE
HYDROXYCINNAMOYL
TRANSFERASE
(Sorghum
bicolor) 		4 / 8 GLY A 413
LEU A 433
VAL A 277
PHE A 416
 None
None
None
PG4  A 501 (-4.6A)
 1.16A 1gsfD-4ke4A:
undetectable		 1gsfD-4ke4A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTF_I_TRPI81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.28A 1gtfH-2v6oA:
undetectable
1gtfI-2v6oA:
undetectable		 1gtfH-2v6oA:
8.02
1gtfI-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTF_J_TRPJ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 9 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.27A 1gtfI-2v6oA:
undetectable
1gtfJ-2v6oA:
undetectable		 1gtfI-2v6oA:
8.02
1gtfJ-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTF_T_TRPT81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.22A 1gtfT-2v6oA:
undetectable
1gtfU-2v6oA:
undetectable		 1gtfT-2v6oA:
8.02
1gtfU-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTI_A_CCSA47_0
(GLUTATHIONE
S-TRANSFERASE)		 4mes THIAMINE TRANSPORTER
THIT
(Lactococcus
lactis) 		4 / 7 LEU A  10
LEU A  53
GLY A  52
LEU A  47
 PG4  A 211 (-4.4A)
None
None
None
 0.94A 1gtiA-4mesA:
undetectable		 1gtiA-4mesA:
22.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		8 / 11 TRP A 213
LEU A 218
LEU A 237
HIS A 241
ARG A 256
LEU A 259
SER A 286
ALA A 290
 None
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 ( 4.5A)
PG4  A 602 (-3.9A)
PG4  A 602 (-3.4A)
 0.71A 1h9zA-5dqfA:
42.6		 1h9zA-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		8 / 11 TRP A 213
LEU A 218
LEU A 237
HIS A 241
LEU A 259
SER A 286
ILE A 289
ALA A 290
 None
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 ( 4.5A)
PG4  A 602 (-3.9A)
PG4  A 602 ( 4.4A)
PG4  A 602 (-3.4A)
 0.62A 1ha2A-5dqfA:
43.1		 1ha2A-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK1_A_T44A3001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		7 / 11 TYR A 149
ARG A 217
LEU A 218
LEU A 237
HIS A 241
ARG A 256
ALA A 290
 PG4  A 602 (-4.9A)
CL  A 617 ( 4.6A)
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 (-3.4A)
 1.01A 1hk1A-5dqfA:
46.4		 1hk1A-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK1_A_T44A3001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		6 / 11 TYR A 149
LEU A 218
ARG A 217
LEU A 237
ARG A 256
ALA A 290
 PG4  A 602 (-4.9A)
None
CL  A 617 ( 4.6A)
PG4  A 602 (-4.7A)
PG4  A 602 (-4.1A)
PG4  A 602 (-3.4A)
 1.31A 1hk1A-5dqfA:
46.4		 1hk1A-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK1_A_T44A3001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		7 / 11 TYR A 149
LYS A 198
ARG A 217
LEU A 237
HIS A 241
ARG A 256
ALA A 290
 PG4  A 602 (-4.9A)
PG4  A 602 ( 4.3A)
CL  A 617 ( 4.6A)
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 (-3.4A)
 1.16A 1hk1A-5dqfA:
46.4		 1hk1A-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK1_A_T44A3001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		7 / 11 TYR A 149
LYS A 198
TRP A 213
LEU A 237
HIS A 241
ARG A 256
ALA A 290
 PG4  A 602 (-4.9A)
PG4  A 602 ( 4.3A)
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 (-3.4A)
 0.76A 1hk1A-5dqfA:
46.4		 1hk1A-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK1_A_T44A3001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		7 / 11 TYR A 149
TRP A 213
LEU A 218
LEU A 237
HIS A 241
ARG A 256
ALA A 290
 PG4  A 602 (-4.9A)
None
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 (-3.4A)
 0.42A 1hk1A-5dqfA:
46.4		 1hk1A-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK2_A_T44A3001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		6 / 9 TYR A 149
LEU A 218
LEU A 237
HIS A 241
ARG A 256
ALA A 290
 PG4  A 602 (-4.9A)
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 (-3.4A)
 0.58A 1hk2A-5dqfA:
49.1		 1hk2A-5dqfA:
76.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK2_A_T44A3001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		5 / 9 TYR A 149
LYS A 198
HIS A 241
ARG A 256
ALA A 290
 PG4  A 602 (-4.9A)
PG4  A 602 ( 4.3A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 (-3.4A)
 0.74A 1hk2A-5dqfA:
49.1		 1hk2A-5dqfA:
76.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK3_A_T44A3001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		6 / 11 TYR A 149
LEU A 218
ARG A 217
LEU A 237
ARG A 256
ALA A 290
 PG4  A 602 (-4.9A)
None
CL  A 617 ( 4.6A)
PG4  A 602 (-4.7A)
PG4  A 602 (-4.1A)
PG4  A 602 (-3.4A)
 1.41A 1hk3A-5dqfA:
45.9		 1hk3A-5dqfA:
76.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK3_A_T44A3001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		8 / 11 TYR A 149
LYS A 194
TRP A 213
LEU A 218
LEU A 237
HIS A 241
ARG A 256
ALA A 290
 PG4  A 602 (-4.9A)
CL  A 617 ( 4.0A)
None
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 (-3.4A)
 0.75A 1hk3A-5dqfA:
45.9		 1hk3A-5dqfA:
76.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HK3_A_T44A3001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		6 / 11 TYR A 149
LYS A 198
TRP A 213
HIS A 241
ARG A 256
ALA A 290
 PG4  A 602 (-4.9A)
PG4  A 602 ( 4.3A)
None
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 (-3.4A)
 0.86A 1hk3A-5dqfA:
45.9		 1hk3A-5dqfA:
76.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HO5_A_ADNA1604_1
(5'-NUCLEOTIDASE)		 6fx0 RETINOIC ACID
RECEPTOR GAMMA
(Homo
sapiens) 		5 / 11 ILE A 383
SER A 390
GLY A 388
PHE A 314
ASP A 269
 PG4  A 502 ( 4.6A)
None
None
None
None
 1.24A 1ho5A-6fx0A:
undetectable		 1ho5A-6fx0A:
10.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HPK_A_ACAA80_1
(PLASMINOGEN)		 5uti QUEUINE
TRNA-RIBOSYLTRANSFER
ASE
(Zymomonas
mobilis) 		4 / 6 PRO A 265
ASP A 315
TRP A 296
TYR A 381
 None
None
PG4  A 405 (-3.8A)
None
 1.40A 1hpkA-5utiA:
undetectable		 1hpkA-5utiA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		 1ued P450 MONOOXYGENASE
(Amycolatopsis
orientalis) 		5 / 11 CYH A 356
HIS A 105
SER A  98
ALA A 241
LEU A 238
 HEM  A1430 (-2.4A)
HEM  A1430 (-3.9A)
PG4  A4502 ( 3.6A)
PG4  A4502 (-4.3A)
None
 1.30A 1hwkB-1uedA:
0.0		 1hwkB-1uedA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		 1ued P450 MONOOXYGENASE
(Amycolatopsis
orientalis) 		5 / 11 CYH A 356
HIS A 105
SER A  98
ALA A 241
LEU A 238
 HEM  A1430 (-2.4A)
HEM  A1430 (-3.9A)
PG4  A4502 ( 3.6A)
PG4  A4502 (-4.3A)
None
 1.28A 1hwkA-1uedA:
0.0		 1hwkA-1uedA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		 1ued P450 MONOOXYGENASE
(Amycolatopsis
orientalis) 		5 / 11 CYH A 356
HIS A 105
SER A  98
ALA A 241
LEU A 238
 HEM  A1430 (-2.4A)
HEM  A1430 (-3.9A)
PG4  A4502 ( 3.6A)
PG4  A4502 (-4.3A)
None
 1.29A 1hwkD-1uedA:
0.0		 1hwkD-1uedA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		 1ued P450 MONOOXYGENASE
(Amycolatopsis
orientalis) 		5 / 11 CYH A 356
HIS A 105
SER A  98
ALA A 241
LEU A 238
 HEM  A1430 (-2.4A)
HEM  A1430 (-3.9A)
PG4  A4502 ( 3.6A)
PG4  A4502 (-4.3A)
None
 1.28A 1hwkC-1uedA:
0.0		 1hwkC-1uedA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IE4_B_T44B328_1
(TRANSTHYRETIN)		 2w8d PROCESSED GLYCEROL
PHOSPHATE
LIPOTEICHOIC ACID
SYNTHASE 2
(Bacillus
subtilis) 		4 / 8 LEU A 395
LYS A 363
ALA A 340
THR A 404
 None
PG4  A1637 (-2.8A)
None
None
 0.94A 1ie4B-2w8dA:
undetectable
1ie4D-2w8dA:
undetectable		 1ie4B-2w8dA:
13.53
1ie4D-2w8dA:
13.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		 2xbl PHOSPHOHEPTOSE
ISOMERASE
(Burkholderia
pseudomallei) 		4 / 6 ALA A  31
LYS A  35
ASP A  38
ALA A  39
 PG4  A1199 (-3.3A)
PG4  A1199 (-2.9A)
None
None
 0.42A 1iwhA-2xblA:
undetectable		 1iwhA-2xblA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4ov6 PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9
(Homo
sapiens) 		5 / 9 ALA B 388
SER B 419
ILE B 416
ILE B 334
THR B 385
 None
None
PG4  B 503 (-4.7A)
None
None
 1.38A 1j3jB-4ov6B:
undetectable		 1j3jB-4ov6B:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JGS_A_SALA256_1
(MULTIPLE ANTIBIOTIC
RESISTANCE PROTEIN
MARR)		 3qt4 CATHEPSIN-L-LIKE
MIDGUT CYSTEINE
PROTEINASE
(Tenebrio
molitor) 		4 / 7 VAL A 131
LEU A 145
THR A 143
LEU A 142
 None
None
PG4  A 416 ( 4.8A)
None
 0.86A 1jgsA-3qt4A:
undetectable		 1jgsA-3qt4A:
17.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JTV_A_TESA500_1
(17
BETA-HYDROXYSTEROID
DEHYDROGENASE TYPE 1)		 4xpz RNA POLYMERASE II
SUBUNIT A C-TERMINAL
DOMAIN PHOSPHATASE
(Schizosaccharomy
ces
pombe) 		4 / 8 LEU A 377
PRO A 355
HIS A 177
GLU A 316
 None
PG4  A 603 (-4.5A)
None
None
 1.01A 1jtvA-4xpzA:
3.0		 1jtvA-4xpzA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K2R_A_H4BA1760_1
(NITRIC-OXIDE
SYNTHASE)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.33A 1k2rA-3nkzA:
undetectable
1k2rB-3nkzA:
undetectable		 1k2rA-3nkzA:
15.40
1k2rB-3nkzA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3qt4 CATHEPSIN-L-LIKE
MIDGUT CYSTEINE
PROTEINASE
(Tenebrio
molitor) 		5 / 12 GLY A 161
ASP A 152
ALA A  79
SER A 124
TYR A 187
 None
None
PG4  A 413 (-3.6A)
None
PG4  A 414 (-4.6A)
 1.23A 1kiaD-3qt4A:
undetectable		 1kiaD-3qt4A:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQU_A_ACTA1428_0
(FPRA)		 3os7 GALACTOSE
MUTAROTASE-LIKE
PROTEIN
(Clostridium
acetobutylicum) 		4 / 7 PHE A  87
PRO A 178
PHE A  96
PHE A 146
 None
None
PG4  A 400 ( 3.9A)
PG4  A 400 (-4.0A)
 1.29A 1lquA-3os7A:
undetectable		 1lquA-3os7A:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LZX_B_H4BB1760_1
(NITRIC-OXIDE
SYNTHASE)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.43A 1lzxA-3nkzA:
2.3
1lzxB-3nkzA:
undetectable		 1lzxA-3nkzA:
15.40
1lzxB-3nkzA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M00_B_H4BB1760_1
(NITRIC-OXIDE
SYNTHASE)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.35A 1m00A-3nkzA:
undetectable
1m00B-3nkzA:
undetectable		 1m00A-3nkzA:
15.40
1m00B-3nkzA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJ2_A_SAMA2201_0
(PROTEIN (METHIONINE
REPRESSOR))		 2y4r 4-AMINO-4-DEOXYCHORI
SMATE LYASE
(Pseudomonas
aeruginosa) 		5 / 9 GLU A  49
ARG A  52
ARG A  53
LEU A 139
ALA A 198
 PG4  A1272 (-3.6A)
None
PG4  A1272 ( 4.5A)
None
PG4  A1272 ( 4.1A)
 1.18A 1mj2A-2y4rA:
undetectable		 1mj2A-2y4rA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJ2_C_SAMC1200_0
(PROTEIN (METHIONINE
REPRESSOR))		 2y4r 4-AMINO-4-DEOXYCHORI
SMATE LYASE
(Pseudomonas
aeruginosa) 		5 / 9 GLU A  49
ARG A  52
ARG A  53
LEU A 139
ALA A 198
 PG4  A1272 (-3.6A)
None
PG4  A1272 ( 4.5A)
None
PG4  A1272 ( 4.1A)
 1.24A 1mj2C-2y4rA:
undetectable		 1mj2C-2y4rA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJL_A_SAMA200_0
(METHIONINE REPRESSOR
PROTEIN METJ)		 2y4r 4-AMINO-4-DEOXYCHORI
SMATE LYASE
(Pseudomonas
aeruginosa) 		5 / 11 GLU A  49
ARG A  52
ARG A  53
LEU A 139
ALA A 198
 PG4  A1272 (-3.6A)
None
PG4  A1272 ( 4.5A)
None
PG4  A1272 ( 4.1A)
 1.14A 1mjlA-2y4rA:
undetectable
1mjlB-2y4rA:
undetectable		 1mjlA-2y4rA:
16.85
1mjlB-2y4rA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJO_A_SAMA199_0
(METHIONINE REPRESSOR)		 2y4r 4-AMINO-4-DEOXYCHORI
SMATE LYASE
(Pseudomonas
aeruginosa) 		5 / 9 GLU A  49
ARG A  52
ARG A  53
LEU A 139
ALA A 198
 PG4  A1272 (-3.6A)
None
PG4  A1272 ( 4.5A)
None
PG4  A1272 ( 4.1A)
 1.21A 1mjoA-2y4rA:
undetectable		 1mjoA-2y4rA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJO_B_SAMB200_1
(METHIONINE REPRESSOR)		 2y4r 4-AMINO-4-DEOXYCHORI
SMATE LYASE
(Pseudomonas
aeruginosa) 		5 / 9 GLU A  49
ARG A  52
ARG A  53
LEU A 139
ALA A 198
 PG4  A1272 (-3.6A)
None
PG4  A1272 ( 4.5A)
None
PG4  A1272 ( 4.1A)
 1.20A 1mjoB-2y4rA:
undetectable		 1mjoB-2y4rA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJO_D_SAMD200_0
(METHIONINE REPRESSOR)		 2y4r 4-AMINO-4-DEOXYCHORI
SMATE LYASE
(Pseudomonas
aeruginosa) 		5 / 9 GLU A  49
ARG A  52
ARG A  53
LEU A 139
ALA A 198
 PG4  A1272 (-3.6A)
None
PG4  A1272 ( 4.5A)
None
PG4  A1272 ( 4.1A)
 1.21A 1mjoC-2y4rA:
undetectable		 1mjoC-2y4rA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MMV_A_H4BA1760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.31A 1mmvA-3nkzA:
undetectable
1mmvB-3nkzA:
undetectable		 1mmvA-3nkzA:
15.40
1mmvB-3nkzA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MMV_B_H4BB2760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.35A 1mmvA-3nkzA:
undetectable
1mmvB-3nkzA:
undetectable		 1mmvA-3nkzA:
15.40
1mmvB-3nkzA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MT1_C_AG2C7004_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 6ffv -
(-) 		4 / 6 ALA A 172
LEU A   3
LEU A 116
LEU A 108
 BNG  A 307 ( 3.7A)
None
PG4  A 305 (-4.5A)
PG4  A 304 ( 4.6A)
 1.00A 1mt1D-6ffvA:
undetectable
1mt1E-6ffvA:
undetectable		 1mt1D-6ffvA:
undetectable
1mt1E-6ffvA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3qt4 CATHEPSIN-L-LIKE
MIDGUT CYSTEINE
PROTEINASE
(Tenebrio
molitor) 		5 / 12 TYR A  73
ILE A 151
ALA A 235
SER A 280
TYR A 187
 PG6  A 419 ( 3.6A)
None
None
None
PG4  A 414 (-4.6A)
 1.15A 1nbhA-3qt4A:
undetectable		 1nbhA-3qt4A:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3qt4 CATHEPSIN-L-LIKE
MIDGUT CYSTEINE
PROTEINASE
(Tenebrio
molitor) 		5 / 12 GLY A 161
ASP A 152
ALA A  79
SER A 124
TYR A 187
 None
None
PG4  A 413 (-3.6A)
None
PG4  A 414 (-4.6A)
 1.20A 1nbhC-3qt4A:
undetectable		 1nbhC-3qt4A:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3qt4 CATHEPSIN-L-LIKE
MIDGUT CYSTEINE
PROTEINASE
(Tenebrio
molitor) 		5 / 12 TYR A  73
ILE A 151
ALA A 235
SER A 280
TYR A 187
 PG6  A 419 ( 3.6A)
None
None
None
PG4  A 414 (-4.6A)
 1.15A 1nbhD-3qt4A:
undetectable		 1nbhD-3qt4A:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NW5_A_SAMA401_1
(MODIFICATION
METHYLASE RSRI)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 ASP A 103
HIS A 286
ASP A 154
 None
PG4  A 403 ( 4.7A)
MN  A 402 (-2.8A)
 0.82A 1nw5A-5o25A:
undetectable		 1nw5A-5o25A:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OM4_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.33A 1om4A-3nkzA:
undetectable
1om4B-3nkzA:
undetectable		 1om4A-3nkzA:
15.33
1om4B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6H_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.36A 1p6hA-3nkzA:
undetectable
1p6hB-3nkzA:
undetectable		 1p6hA-3nkzA:
15.33
1p6hB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PCG_A_ESTA1_1
(ESTROGEN RECEPTOR)		 2o08 BH1327 PROTEIN
(Bacillus
halodurans) 		5 / 10 LEU A  32
ALA A  43
LEU A 119
LEU A 118
ILE A 153
 PG4  A 503 (-4.7A)
None
None
None
None
 1.10A 1pcgA-2o08A:
undetectable		 1pcgA-2o08A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PXX_C_DIFC2701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1h17 FORMATE
ACETYLTRANSFERASE 1
(Escherichia
coli) 		5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
 None
None
None
None
PG4  A9013 (-3.9A)
 1.09A 1pxxC-1h17A:
0.0		 1pxxC-1h17A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_C_FUAC701_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 4 ALA A 289
VAL A 274
ALA A 290
HIS A 105
 PG4  A 403 ( 4.2A)
None
None
PG4  A 403 (-4.5A)
 1.20A 1q23A-5o25A:
undetectable		 1q23A-5o25A:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_E_FUAE706_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 4 ALA A 289
VAL A 274
ALA A 290
HIS A 105
 PG4  A 403 ( 4.2A)
None
None
PG4  A 403 (-4.5A)
 1.22A 1q23F-5o25A:
undetectable		 1q23F-5o25A:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_J_FUAJ711_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 4 ALA A 289
VAL A 274
ALA A 290
HIS A 105
 PG4  A 403 ( 4.2A)
None
None
PG4  A 403 (-4.5A)
 1.15A 1q23K-5o25A:
undetectable		 1q23K-5o25A:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QU2_A_MRCA1993_2
(ISOLEUCYL-TRNA
SYNTHETASE)		 5c9l PLL LECTIN
(Photorhabdus
luminescens) 		3 / 3 GLU A 136
TRP A 150
LYS A 320
 None
None
PG4  A 407 ( 4.7A)
 1.41A 1qu2A-5c9lA:
undetectable		 1qu2A-5c9lA:
16.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QVU_A_PRLA196_0
(TRANSCRIPTIONAL
REGULATOR QACR)		 1h17 FORMATE
ACETYLTRANSFERASE 1
(Escherichia
coli) 		4 / 6 LEU A  43
GLU A 298
THR A  34
TYR A  36
 PG4  A9011 (-4.5A)
None
None
None
 1.07A 1qvuA-1h17A:
3.5		 1qvuA-1h17A:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS6_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 8 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.36A 1rs6A-3nkzA:
undetectable
1rs6B-3nkzA:
2.4		 1rs6A-3nkzA:
15.33
1rs6B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 8 TYR A  81
VAL A 236
TRP A 138
GLU A  64
 None
None
GOL  A 278 (-3.7A)
PG4  A 270 (-3.4A)
 1.28A 1s3zA-3rq0A:
undetectable
1s3zB-3rq0A:
undetectable		 1s3zA-3rq0A:
19.55
1s3zB-3rq0A:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDT_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 3pet PUTATIVE ADHESIN
(Bacteroides
fragilis) 		5 / 12 GLY A  50
ALA A  49
ASP A  48
ILE A 116
ILE A  55
 PG4  A 251 ( 4.2A)
None
None
None
None
 0.87A 1sdtB-3petA:
undetectable		 1sdtB-3petA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDV_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 3pet PUTATIVE ADHESIN
(Bacteroides
fragilis) 		5 / 11 GLY A  50
ALA A  49
ASP A  48
ILE A 116
ILE A  55
 PG4  A 251 ( 4.2A)
None
None
None
None
 0.87A 1sdvB-3petA:
undetectable		 1sdvB-3petA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SN0_C_T44C601_1
(TRANSTHYRETIN)		 5cwn DESIGNED HELICAL
REPEAT PROTEIN
(synthetic
construct) 		5 / 9 LEU A  64
LYS A  81
LEU A  37
GLU A  77
ALA A  83
 None
None
PG4  A 302 ( 3.8A)
None
None
 1.49A 1sn0A-5cwnA:
undetectable
1sn0C-5cwnA:
undetectable		 1sn0A-5cwnA:
21.11
1sn0C-5cwnA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 HIS A 105
GLY A 285
ASP A  80
HIS A 104
ASP A  25
 PG4  A 403 (-4.5A)
PG4  A 403 (-3.5A)
MN  A 401 ( 2.6A)
MN  A 402 (-3.5A)
MN  A 402 (-3.1A)
 1.29A 1t69A-5o25A:
undetectable		 1t69A-5o25A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 2r44 UNCHARACTERIZED
PROTEIN
(Cytophaga
hutchinsonii) 		5 / 12 ILE A 296
ALA A 265
LYS A 290
THR A 241
ILE A 321
 None
None
PG4  A 338 ( 2.5A)
None
None
 1.14A 1tdrA-2r44A:
undetectable		 1tdrA-2r44A:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TW4_B_CHDB1130_0
(FATTY ACID-BINDING
PROTEIN)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 LEU A 167
ILE A 147
ARG A 146
LEU A 199
ARG A 203
 GOL  A 279 ( 4.6A)
None
GOL  A 279 (-3.4A)
None
PG4  A 281 (-4.2A)
 1.09A 1tw4B-3oosA:
undetectable		 1tw4B-3oosA:
17.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_A_TRPA81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 9 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.31A 1utdA-2v6oA:
undetectable
1utdB-2v6oA:
undetectable		 1utdA-2v6oA:
8.02
1utdB-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_G_TRPG81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 9 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.29A 1utdG-2v6oA:
undetectable
1utdH-2v6oA:
undetectable		 1utdG-2v6oA:
8.02
1utdH-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_M_TRPM81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 11 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.23A 1utdM-2v6oA:
undetectable
1utdN-2v6oA:
undetectable		 1utdM-2v6oA:
8.02
1utdN-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_N_TRPN81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.26A 1utdN-2v6oA:
undetectable
1utdO-2v6oA:
undetectable		 1utdN-2v6oA:
8.02
1utdO-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V8B_C_ADNC2502_2
(ADENOSYLHOMOCYSTEINA
SE)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		3 / 3 GLU A 462
THR A 461
LEU A  53
 None
PG4  A1596 ( 4.8A)
None
 0.72A 1v8bC-2v6oA:
4.2		 1v8bC-2v6oA:
24.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		 4q7q LIPOLYTIC PROTEIN
G-D-S-L FAMILY
(Chitinophaga
pinensis) 		5 / 11 ASP A 156
GLY A  69
SER A  30
PHE A 151
HIS A 254
 None
PG4  A 301 ( 3.7A)
PG4  A 301 ( 4.4A)
PG4  A 301 (-4.6A)
None
 1.40A 1w76A-4q7qA:
2.2		 1w76A-4q7qA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XVA_B_ACTB294_0
(GLYCINE
N-METHYLTRANSFERASE)		 2rcc RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA
(Bacillus
halodurans) 		4 / 6 TRP A 263
TYR A 266
ILE A 267
LEU A 151
 None
PG4  A 346 ( 3.8A)
PG4  A 346 ( 4.8A)
None
 0.81A 1xvaA-2rccA:
undetectable
1xvaB-2rccA:
undetectable		 1xvaA-2rccA:
21.07
1xvaB-2rccA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XZX_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA-1)		 2rcc RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA
(Bacillus
halodurans) 		5 / 12 ILE A 267
ILE A 268
ALA A  76
ILE A 212
MET A 309
 PG4  A 346 ( 4.8A)
None
None
None
None
 1.25A 1xzxX-2rccA:
3.1		 1xzxX-2rccA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XZX_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA-1)		 3h41 NLP/P60 FAMILY
PROTEIN
(Bacillus
cereus) 		5 / 12 ILE A 215
ILE A 302
LEU A 214
LEU A 277
ILE A 253
 PG4  A   2 (-3.7A)
None
None
None
None
 1.23A 1xzxX-3h41A:
undetectable		 1xzxX-3h41A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)		 4mes THIAMINE TRANSPORTER
THIT
(Lactococcus
lactis) 		5 / 12 LEU A  10
GLY A  59
GLY A  56
LEU A  53
GLY A  96
 PG4  A 211 (-4.4A)
None
None
None
None
 1.03A 1y4lA-4mesA:
undetectable		 1y4lA-4mesA:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA3_B_STRB2001_2
(MINERALOCORTICOID
RECEPTOR)		 5ukv ATP-BINDING PROTEIN
(Mycobacterium
tuberculosis) 		3 / 3 LEU A 304
LEU A 310
MET A 250
 None
None
PG4  A 403 ( 4.2A)
 0.82A 1ya3B-5ukvA:
undetectable		 1ya3B-5ukvA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZQ_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.37A 1zzqA-3nkzA:
undetectable
1zzqB-3nkzA:
undetectable		 1zzqA-3nkzA:
15.40
1zzqB-3nkzA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZQ_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.33A 1zzqA-3nkzA:
undetectable
1zzqB-3nkzA:
undetectable		 1zzqA-3nkzA:
15.40
1zzqB-3nkzA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1N_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.69A 2a1nA-2xkrA:
44.6		 2a1nA-2xkrA:
28.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AKE_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE
(Saccharomyces
cerevisiae) 		7 / 12 THR A 160
GLY A 161
GLY A 163
THR A 196
GLU A 199
ILE A 306
PHE A 316
 None
PG4  A 950 ( 4.3A)
PG4  A 950 (-3.9A)
PG4  A 950 (-3.5A)
PG4  A 950 (-3.7A)
None
PG4  A 950 ( 4.8A)
 0.67A 2akeA-2ip1A:
49.4		 2akeA-2ip1A:
48.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AKE_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE
(Saccharomyces
cerevisiae) 		7 / 12 TYR A 159
THR A 160
GLY A 161
GLY A 163
THR A 196
GLU A 199
ILE A 306
 None
None
PG4  A 950 ( 4.3A)
PG4  A 950 (-3.9A)
PG4  A 950 (-3.5A)
PG4  A 950 (-3.7A)
None
 0.60A 2akeA-2ip1A:
49.4		 2akeA-2ip1A:
48.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AKE_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE
(Saccharomyces
cerevisiae) 		6 / 12 TYR A 159
THR A 160
GLY A 161
GLY A 163
THR A 196
LYS A 200
 None
None
PG4  A 950 ( 4.3A)
PG4  A 950 (-3.9A)
PG4  A 950 (-3.5A)
None
 0.80A 2akeA-2ip1A:
49.4		 2akeA-2ip1A:
48.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVS_B_MK1B902_3
(POL POLYPROTEIN)		 3pet PUTATIVE ADHESIN
(Bacteroides
fragilis) 		5 / 12 GLY A  50
ALA A  49
ASP A  48
ILE A 116
ILE A  55
 PG4  A 251 ( 4.2A)
None
None
None
None
 0.87A 2avsB-3petA:
undetectable		 2avsB-3petA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVV_E_MK1E902_3
(POL POLYPROTEIN)		 3pet PUTATIVE ADHESIN
(Bacteroides
fragilis) 		5 / 12 GLY A  50
ALA A  49
ASP A  48
ILE A 116
ILE A  55
 PG4  A 251 ( 4.2A)
None
None
None
None
 0.87A 2avvE-3petA:
undetectable		 2avvE-3petA:
18.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AZX_A_TRPA601_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE
(Saccharomyces
cerevisiae) 		7 / 12 THR A 160
GLY A 161
GLY A 163
THR A 196
GLU A 199
ILE A 306
PHE A 316
 None
PG4  A 950 ( 4.3A)
PG4  A 950 (-3.9A)
PG4  A 950 (-3.5A)
PG4  A 950 (-3.7A)
None
PG4  A 950 ( 4.8A)
 0.73A 2azxA-2ip1A:
49.0		 2azxA-2ip1A:
46.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AZX_A_TRPA601_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE
(Saccharomyces
cerevisiae) 		5 / 12 TYR A 159
THR A 160
GLY A 161
GLN A 283
ILE A 306
 None
None
PG4  A 950 ( 4.3A)
PG4  A 950 ( 4.0A)
None
 1.19A 2azxA-2ip1A:
49.0		 2azxA-2ip1A:
46.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AZX_A_TRPA601_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE
(Saccharomyces
cerevisiae) 		7 / 12 TYR A 159
THR A 160
GLY A 161
GLY A 163
THR A 196
GLU A 199
ILE A 306
 None
None
PG4  A 950 ( 4.3A)
PG4  A 950 (-3.9A)
PG4  A 950 (-3.5A)
PG4  A 950 (-3.7A)
None
 0.62A 2azxA-2ip1A:
49.0		 2azxA-2ip1A:
46.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AZX_B_TRPB603_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE
(Saccharomyces
cerevisiae) 		5 / 12 TYR A 159
GLU A 199
ILE A 306
CYH A 308
PHE A 316
 None
PG4  A 950 (-3.7A)
None
None
PG4  A 950 ( 4.8A)
 1.12A 2azxB-2ip1A:
49.0		 2azxB-2ip1A:
46.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AZX_B_TRPB603_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE
(Saccharomyces
cerevisiae) 		5 / 12 TYR A 159
ILE A 306
CYH A 308
GLN A 312
PHE A 316
 None
None
None
PG4  A 950 (-4.2A)
PG4  A 950 ( 4.8A)
 1.03A 2azxB-2ip1A:
49.0		 2azxB-2ip1A:
46.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AZX_B_TRPB603_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE
(Saccharomyces
cerevisiae) 		5 / 12 TYR A 159
THR A 160
GLY A 161
GLN A 283
ILE A 306
 None
None
PG4  A 950 ( 4.3A)
PG4  A 950 ( 4.0A)
None
 1.19A 2azxB-2ip1A:
49.0		 2azxB-2ip1A:
46.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AZX_B_TRPB603_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE
(Saccharomyces
cerevisiae) 		8 / 12 TYR A 159
THR A 160
GLY A 161
GLY A 163
THR A 196
GLU A 199
ILE A 306
PHE A 316
 None
None
PG4  A 950 ( 4.3A)
PG4  A 950 (-3.9A)
PG4  A 950 (-3.5A)
PG4  A 950 (-3.7A)
None
PG4  A 950 ( 4.8A)
 0.83A 2azxB-2ip1A:
49.0		 2azxB-2ip1A:
46.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3l77 SHORT-CHAIN ALCOHOL
DEHYDROGENASE
(Thermococcus
sibiricus) 		5 / 12 GLY A   8
ARG A  33
ASP A  59
SER A  61
ALA A  87
 NJP  A 501 (-3.3A)
NJP  A 501 (-3.5A)
NJP  A 501 (-3.6A)
PG4  A 245 ( 4.1A)
NJP  A 501 (-3.5A)
 0.85A 2br4C-3l77A:
6.0		 2br4C-3l77A:
21.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXC_A_P1ZA2001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		5 / 12 SER A 191
LEU A 218
ILE A 263
ILE A 289
ALA A 290
 None
None
None
PG4  A 602 ( 4.4A)
PG4  A 602 (-3.4A)
 1.05A 2bxcA-5dqfA:
46.3		 2bxcA-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXC_A_P1ZA2001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		10 / 12 TYR A 149
LYS A 198
LEU A 218
LEU A 237
HIS A 241
ARG A 256
ALA A 260
ILE A 263
ILE A 289
ALA A 290
 PG4  A 602 (-4.9A)
PG4  A 602 ( 4.3A)
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 ( 3.9A)
None
PG4  A 602 ( 4.4A)
PG4  A 602 (-3.4A)
 0.73A 2bxcA-5dqfA:
46.3		 2bxcA-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXC_A_P1ZA2001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		10 / 12 TYR A 149
SER A 191
LEU A 218
LEU A 237
HIS A 241
ARG A 256
ALA A 260
ILE A 263
ILE A 289
ALA A 290
 PG4  A 602 (-4.9A)
None
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 ( 3.9A)
None
PG4  A 602 ( 4.4A)
PG4  A 602 (-3.4A)
 0.51A 2bxcA-5dqfA:
46.3		 2bxcA-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXC_B_P1ZB2001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		8 / 9 TYR A 149
GLU A 152
LEU A 218
LEU A 237
HIS A 241
ARG A 256
ALA A 260
ALA A 290
 PG4  A 602 (-4.9A)
None
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 ( 3.9A)
PG4  A 602 (-3.4A)
 0.51A 2bxcB-5dqfA:
46.4		 2bxcB-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXC_B_P1ZB2001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		6 / 9 TYR A 149
GLU A 152
LEU A 237
HIS A 241
ARG A 256
ALA A 257
 PG4  A 602 (-4.9A)
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
None
 1.22A 2bxcB-5dqfA:
46.4		 2bxcB-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXD_A_RWFA2001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		7 / 9 TYR A 149
LYS A 198
LEU A 237
HIS A 241
ARG A 256
LEU A 259
ALA A 290
 PG4  A 602 (-4.9A)
PG4  A 602 ( 4.3A)
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 ( 4.5A)
PG4  A 602 (-3.4A)
 0.68A 2bxdA-5dqfA:
47.0		 2bxdA-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXD_B_RWFB2001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		7 / 10 TYR A 149
LYS A 198
TRP A 213
LEU A 237
HIS A 241
ILE A 289
ALA A 290
 PG4  A 602 (-4.9A)
PG4  A 602 ( 4.3A)
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 ( 4.4A)
PG4  A 602 (-3.4A)
 0.65A 2bxdB-5dqfA:
47.0		 2bxdB-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXE_A_1FLA2003_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		8 / 9 TYR A 149
LEU A 218
PHE A 222
LEU A 237
HIS A 241
ARG A 256
LEU A 259
ALA A 290
 PG4  A 602 (-4.9A)
None
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 ( 4.5A)
PG4  A 602 (-3.4A)
 0.44A 2bxeA-5dqfA:
46.1		 2bxeA-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXE_B_1FLB2003_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		9 / 10 TYR A 149
LEU A 218
PHE A 222
LEU A 237
HIS A 241
ARG A 256
LEU A 259
ILE A 263
ALA A 290
 PG4  A 602 (-4.9A)
None
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 ( 4.5A)
None
PG4  A 602 (-3.4A)
 0.43A 2bxeB-5dqfA:
48.1		 2bxeB-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXP_A_P1ZA3001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		9 / 12 TRP A 213
LEU A 218
PHE A 222
LEU A 237
HIS A 241
LEU A 259
ALA A 260
ILE A 263
ALA A 290
 None
None
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 ( 4.5A)
PG4  A 602 ( 3.9A)
None
PG4  A 602 (-3.4A)
 0.56A 2bxpA-5dqfA:
41.4		 2bxpA-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXP_A_P1ZA3001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		9 / 12 TRP A 213
LEU A 218
PHE A 222
LEU A 237
HIS A 241
LEU A 259
ILE A 263
SER A 286
ALA A 290
 None
None
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 ( 4.5A)
None
PG4  A 602 (-3.9A)
PG4  A 602 (-3.4A)
 0.71A 2bxpA-5dqfA:
41.4		 2bxpA-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXQ_A_IMNA2001_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		5 / 10 ALA A 209
ARG A 217
LEU A 218
LEU A 237
LEU A 480
 CZE  A 613 ( 4.4A)
CL  A 617 ( 4.6A)
None
PG4  A 602 (-4.7A)
None
 0.53A 2bxqA-5dqfA:
41.5		 2bxqA-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXQ_A_P1ZA2002_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		10 / 12 LEU A 218
PHE A 222
LEU A 237
HIS A 241
ARG A 256
LEU A 259
ILE A 263
SER A 286
ILE A 289
ALA A 290
 None
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 ( 4.5A)
None
PG4  A 602 (-3.9A)
PG4  A 602 ( 4.4A)
PG4  A 602 (-3.4A)
 0.62A 2bxqA-5dqfA:
41.5		 2bxqA-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BXQ_A_P1ZA2002_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		6 / 12 LYS A 198
HIS A 241
ILE A 263
SER A 286
ILE A 289
ALA A 290
 PG4  A 602 ( 4.3A)
PG4  A 602 (-4.0A)
None
PG4  A 602 (-3.9A)
PG4  A 602 ( 4.4A)
PG4  A 602 (-3.4A)
 1.21A 2bxqA-5dqfA:
41.5		 2bxqA-5dqfA:
76.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DQY_C_CHDC3_0
(LIVER
CARBOXYLESTERASE 1)		 3c64 PFEMP1 VARIANT 2 OF
STRAIN MC
(Plasmodium
falciparum) 		4 / 6 TRP A  25
LEU A  19
LEU A 148
VAL A  56
 PG4  A 301 (-3.6A)
None
None
None
 1.12A 2dqyC-3c64A:
undetectable		 2dqyC-3c64A:
13.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DR2_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE
(Saccharomyces
cerevisiae) 		6 / 11 GLY A 161
GLY A 163
THR A 196
GLU A 199
ILE A 306
PHE A 316
 PG4  A 950 ( 4.3A)
PG4  A 950 (-3.9A)
PG4  A 950 (-3.5A)
PG4  A 950 (-3.7A)
None
PG4  A 950 ( 4.8A)
 0.70A 2dr2A-2ip1A:
49.4		 2dr2A-2ip1A:
48.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DR2_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE
(Saccharomyces
cerevisiae) 		6 / 11 TYR A 159
GLY A 161
GLY A 163
THR A 196
GLU A 199
ILE A 306
 None
PG4  A 950 ( 4.3A)
PG4  A 950 (-3.9A)
PG4  A 950 (-3.5A)
PG4  A 950 (-3.7A)
None
 0.61A 2dr2A-2ip1A:
49.4		 2dr2A-2ip1A:
48.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTT_C_H4BC1002_1
(HYPOTHETICAL PROTEIN
PH0634)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 6 TYR A 109
ASP A 172
GLU A 106
GLU A  18
 None
None
None
PG4  A1217 ( 4.9A)
 1.35A 2dttB-2caiA:
undetectable
2dttC-2caiA:
undetectable		 2dttB-2caiA:
19.42
2dttC-2caiA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.76A 2dysA-5o25A:
undetectable		 2dysA-5o25A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_N_CUN601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.76A 2dysN-5o25A:
undetectable		 2dysN-5o25A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2E1Q_D_SALD5006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 3lxm ASPARTATE
CARBAMOYLTRANSFERASE
(Yersinia
pestis) 		4 / 5 ARG A 106
PHE A  49
THR A  56
LEU A  58
 PG4  A 312 (-3.0A)
None
PG4  A 312 (-4.3A)
None
 1.43A 2e1qD-3lxmA:
undetectable		 2e1qD-3lxmA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.71A 2einA-5o25A:
1.5		 2einA-5o25A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5m6q UNCHARACTERIZED
PROTEIN
(Kutzneria
albida) 		4 / 6 HIS A 188
ASP A  21
TYR A  22
HIS A 205
 None
PG4  A 305 (-3.6A)
None
MES  A 303 (-4.0A)
 1.27A 2einA-5m6qA:
undetectable
2einC-5m6qA:
undetectable		 2einA-5m6qA:
18.98
2einC-5m6qA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F9W_A_PAUA6001_0
(PANTOTHENATE KINASE)		 2veo LIPASE A
(Moesziomyces
antarcticus) 		5 / 11 TYR A 183
GLY A 185
ASP A  95
ILE A 336
THR A 221
 None
PG4  A1443 ( 4.3A)
PG4  A1443 (-3.1A)
None
PG4  A1443 (-4.1A)
 1.14A 2f9wA-2veoA:
undetectable
2f9wB-2veoA:
undetectable		 2f9wA-2veoA:
21.68
2f9wB-2veoA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 3pea ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 11 GLY A 143
THR A 144
GLU A 112
LEU A 133
GLU A 227
 None
None
PG4  A 260 (-3.3A)
None
None
 1.32A 2fn1A-3peaA:
undetectable		 2fn1A-3peaA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FXE_A_DR7A102_2
(POL PROTEIN)		 3pet PUTATIVE ADHESIN
(Bacteroides
fragilis) 		5 / 11 GLY A  50
ALA A  49
ASP A  48
ILE A 116
ILE A  55
 PG4  A 251 ( 4.2A)
None
None
None
None
 0.89A 2fxeB-3petA:
undetectable		 2fxeB-3petA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G6H_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 8 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.31A 2g6hA-3nkzA:
undetectable
2g6hB-3nkzA:
undetectable		 2g6hA-3nkzA:
15.40
2g6hB-3nkzA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G6K_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.30A 2g6kA-3nkzA:
undetectable
2g6kB-3nkzA:
undetectable		 2g6kA-3nkzA:
15.40
2g6kB-3nkzA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G6M_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.32A 2g6mA-3nkzA:
undetectable
2g6mB-3nkzA:
undetectable		 2g6mA-3nkzA:
15.40
2g6mB-3nkzA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G6M_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.34A 2g6mA-3nkzA:
undetectable
2g6mB-3nkzA:
undetectable		 2g6mA-3nkzA:
15.40
2g6mB-3nkzA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GLU_A_SAMA301_0
(YCGJ)		 4mk3 GLUTATHIONE
S-TRANSFERASE
(Cupriavidus
metallidurans) 		5 / 12 GLY A 150
HIS A 152
THR A 154
ALA A 143
THR A 140
 None
None
None
None
PG4  A 303 ( 4.1A)
 1.03A 2gluA-4mk3A:
undetectable		 2gluA-4mk3A:
26.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H42_C_VIAC903_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3fd3 CHROMOSOME
REPLICATION
INITIATION INHIBITOR
PROTEIN
(Agrobacterium
fabrum) 		5 / 12 LEU A 303
ALA A 146
ILE A 145
LEU A 181
PHE A 128
 None
PG4  A 321 ( 3.8A)
None
None
None
 0.97A 2h42C-3fd3A:
undetectable		 2h42C-3fd3A:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		4 / 7 GLY A 144
GLY A 143
ALA A 146
ALA A 147
 None
None
None
PG4  A 291 ( 3.9A)
 0.68A 2ha4B-4c6yA:
undetectable		 2ha4B-4c6yA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HRC_A_CHDA702_0
(FERROCHELATASE)		 5j60 THIOREDOXIN
REDUCTASE
(Gloeobacter
violaceus) 		4 / 7 MET A 254
LEU A  87
VAL A 273
MET A 266
 None
None
None
PG4  A 403 ( 3.8A)
 1.09A 2hrcA-5j60A:
undetectable		 2hrcA-5j60A:
22.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2I2Z_A_SALA1100_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		5 / 5 LEU A 218
LEU A 259
ILE A 263
ILE A 289
ALA A 290
 None
PG4  A 602 ( 4.5A)
None
PG4  A 602 ( 4.4A)
PG4  A 602 (-3.4A)
 0.35A 2i2zA-5dqfA:
42.1		 2i2zA-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2I30_A_SALA1200_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		4 / 4 LEU A 218
ILE A 263
ILE A 289
ALA A 290
 None
None
PG4  A 602 ( 4.4A)
PG4  A 602 (-3.4A)
 0.38A 2i30A-5dqfA:
42.5		 2i30A-5dqfA:
76.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JFA_B_RALB600_2
(ESTROGEN RECEPTOR)		 4xtb CALCIUM UNIPORTER
PROTEIN,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 4 LEU A 101
THR A 100
ILE A 104
HIS A 170
 None
None
None
PG4  A1001 (-3.5A)
 1.22A 2jfaB-4xtbA:
undetectable		 2jfaB-4xtbA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JN3_A_JN3A131_2
(FATTY ACID-BINDING
PROTEIN, LIVER)		 4zjg ALPHA-2-MACROGLOBULI
N
(Escherichia
coli) 		4 / 6 LEU A  83
LYS A 157
GLN A  95
ILE A 101
 None
PG4  A 401 (-2.8A)
None
None
 1.13A 2jn3A-4zjgA:
undetectable		 2jn3A-4zjgA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KOT_B_ANWB99_0
(PROTEIN S100-A13)		 5kc9 GLUTAMATE RECEPTOR
IONOTROPIC, DELTA-1
(Mus
musculus) 		4 / 8 ALA A 185
VAL A 157
THR A 158
LYS A 164
 PG4  A 523 ( 4.0A)
None
None
None
 1.20A 2kotB-5kc9A:
undetectable		 2kotB-5kc9A:
14.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NMZ_B_ROCB401_2
(PROTEASE)		 4ke4 HYDROXYCINNAMOYL-COA
:SHIKIMATE
HYDROXYCINNAMOYL
TRANSFERASE
(Sorghum
bicolor) 		3 / 3 ARG A 304
VAL A 210
THR A 322
 PG4  A 502 (-2.8A)
None
None
 0.66A 2nmzA-4ke4A:
undetectable		 2nmzA-4ke4A:
12.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NV4_B_SAMB202_0
(UPF0066 PROTEIN
AF_0241)		 5e7p CELL DIVISION
CONTROL PROTEIN
CDC48
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A 428
PRO A 271
GLY A 480
LEU A 469
SER A 472
 ADP  A 901 ( 3.7A)
PG4  A 903 (-3.8A)
None
None
None
 1.38A 2nv4B-5e7pA:
undetectable		 2nv4B-5e7pA:
11.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 4x9l HEAT SHOCK PROTEIN
(Oryza
sativa) 		5 / 12 THR A 139
ALA A 129
PHE A 126
ILE A  79
LEU A 187
 PG4  A 302 ( 4.2A)
None
None
None
None
 1.12A 2nyrA-4x9lA:
undetectable		 2nyrA-4x9lA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYU_A_SAMA201_1
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		 3dff TEICOPLANIN
PSEUDOAGLYCONE
DEACETYLASES ORF2
(Actinoplanes
teichomyceticus) 		4 / 4 PRO A 162
ASP A 129
ASP A 127
ASP A 169
 PG4  A 400 ( 4.7A)
None
None
None
 1.49A 2nyuA-3dffA:
4.3		 2nyuA-3dffA:
24.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4K_A_DR7A301_2
(PROTEASE)		 3pet PUTATIVE ADHESIN
(Bacteroides
fragilis) 		5 / 12 GLY A  50
ALA A  49
ASP A  48
ILE A 116
ILE A  55
 PG4  A 251 ( 4.2A)
None
None
None
None
 0.83A 2o4kB-3petA:
undetectable		 2o4kB-3petA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OA1_B_ADNB2005_1
(TRYPTOPHAN
HALOGENASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 7 GLY A 231
GLY A 230
VAL A 137
LEU A 345
 HEM  A1400 (-3.2A)
PG4  A1399 ( 3.2A)
None
HEM  A1400 ( 4.7A)
 0.70A 2oa1B-2xkrA:
undetectable		 2oa1B-2xkrA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_A_SNLA1001_2
(MINERALOCORTICOID
RECEPTOR)		 4mk3 GLUTATHIONE
S-TRANSFERASE
(Cupriavidus
metallidurans) 		4 / 5 LEU A 135
ALA A 137
TRP A  93
LEU A  96
 None
PG4  A 303 (-3.6A)
PG4  A 303 (-2.9A)
PG4  A 303 ( 4.1A)
 1.12A 2oaxA-4mk3A:
undetectable		 2oaxA-4mk3A:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 12 LEU A 374
THR A 370
LEU A  24
ILE A  11
GLY A  18
 None
None
PG4  A 529 (-3.8A)
None
None
 0.86A 2ouzA-2pyxA:
undetectable		 2ouzA-2pyxA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OZ7_A_CA4A1_2
(ANDROGEN RECEPTOR)		 5xxo PERIPLASMIC
BETA-GLUCOSIDASE
(Bacteroides
thetaiotaomicron) 		4 / 6 LEU A 105
MET A  40
MET A  37
LEU A 101
 None
None
None
PG4  A 804 (-4.6A)
 1.44A 2oz7A-5xxoA:
undetectable		 2oz7A-5xxoA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q0J_A_BEZA500_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		5 / 10 ASP A  60
HIS A 132
ASP A 151
PHE A 163
HIS A 192
 ZN  A1211 ( 2.8A)
None
ZN  A1211 (-2.4A)
PG4  A1212 (-4.6A)
ZN  A1211 (-3.3A)
 0.83A 2q0jA-2xf4A:
18.4		 2q0jA-2xf4A:
24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q0J_B_BEZB500_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		6 / 11 ASP A  60
HIS A  61
HIS A 132
ASP A 151
PHE A 163
HIS A 192
 ZN  A1211 ( 2.8A)
ZN  A1211 (-3.3A)
None
ZN  A1211 (-2.4A)
PG4  A1212 (-4.6A)
ZN  A1211 (-3.3A)
 0.87A 2q0jB-2xf4A:
18.5		 2q0jB-2xf4A:
24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q6O_B_SAMB500_0
(HYPOTHETICAL PROTEIN)		 5mu5 UNCHARACTERIZED
PROTEIN
(Magnetospirillum
magneticum) 		4 / 6 VAL A 496
PHE A 459
PRO A 503
THR A 501
 None
PG4  A 705 (-4.6A)
None
None
 1.12A 2q6oB-5mu5A:
undetectable		 2q6oB-5mu5A:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD3_A_CHDA502_0
(FERROCHELATASE)		 4rjk ACETOLACTATE
SYNTHASE
(Bacillus
subtilis) 		4 / 8 PRO A  78
SER A 160
VAL A  30
GLY A  29
 None
PG4  A 603 ( 4.9A)
None
None
 0.82A 2qd3A-4rjkA:
undetectable		 2qd3A-4rjkA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QMM_B_SAMB301_0
(UPF0217 PROTEIN
AF_1056)		 2o08 BH1327 PROTEIN
(Bacillus
halodurans) 		6 / 11 SER A 117
LEU A 125
ILE A 153
GLY A 112
LEU A  32
LEU A 118
 None
None
None
None
PG4  A 503 (-4.7A)
None
 1.15A 2qmmA-2o08A:
undetectable
2qmmB-2o08A:
undetectable		 2qmmA-2o08A:
21.23
2qmmB-2o08A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R5P_B_MK1B902_2
(PROTEASE)		 3pet PUTATIVE ADHESIN
(Bacteroides
fragilis) 		5 / 12 GLY A  50
ALA A  49
ASP A  48
ILE A 116
ILE A  55
 PG4  A 251 ( 4.2A)
None
None
None
None
 0.86A 2r5pB-3petA:
undetectable		 2r5pB-3petA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R5P_D_MK1D902_2
(PROTEASE)		 3pet PUTATIVE ADHESIN
(Bacteroides
fragilis) 		5 / 12 GLY A  50
ALA A  49
ASP A  48
ILE A 116
ILE A  55
 PG4  A 251 ( 4.2A)
None
None
None
None
 0.86A 2r5pD-3petA:
undetectable		 2r5pD-3petA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RCT_A_RTLA140_1
(RETINOL-BINDING
PROTEIN II, CELLULAR)		 3tcs RACEMASE, PUTATIVE
(Roseobacter
denitrificans) 		3 / 3 GLN A  30
THR A 330
TRP A 289
 None
PG4  A 372 ( 4.0A)
None
 1.04A 2rctA-3tcsA:
undetectable		 2rctA-3tcsA:
15.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0M_B_KLNB1499_1
(CYTOCHROME P450 3A4)		 3pet PUTATIVE ADHESIN
(Bacteroides
fragilis) 		4 / 7 PHE A 118
PHE A 101
ILE A  75
GLY A  50
 None
ACT  A 247 (-4.4A)
ACT  A 247 (-4.9A)
PG4  A 251 ( 4.2A)
 0.82A 2v0mB-3petA:
undetectable		 2v0mB-3petA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VAV_K_CSCK1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 5aoc ESTERASE
(Thermogutta
terrifontis) 		5 / 12 THR A 135
ARG A 107
PHE A  50
VAL A  48
MET A  78
 None
PG4  A1285 (-3.5A)
None
None
None
 1.23A 2vavK-5aocA:
15.5		 2vavK-5aocA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VAX_C_CSCC1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 5aoc ESTERASE
(Thermogutta
terrifontis) 		5 / 12 THR A 135
ARG A 107
PHE A  50
VAL A  48
MET A  78
 None
PG4  A1285 (-3.5A)
None
None
None
 1.19A 2vaxC-5aocA:
14.3		 2vaxC-5aocA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VAX_D_CSCD1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 5aoc ESTERASE
(Thermogutta
terrifontis) 		5 / 12 THR A 135
ARG A 107
PHE A  50
VAL A  48
MET A  78
 None
PG4  A1285 (-3.5A)
None
None
None
 1.19A 2vaxD-5aocA:
14.3		 2vaxD-5aocA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VAX_G_CSCG1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 5aoc ESTERASE
(Thermogutta
terrifontis) 		5 / 12 THR A 135
ARG A 107
PHE A  50
VAL A  48
MET A  78
 None
PG4  A1285 (-3.5A)
None
None
None
 1.19A 2vaxG-5aocA:
14.3		 2vaxG-5aocA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VAX_L_CSCL1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 5aoc ESTERASE
(Thermogutta
terrifontis) 		5 / 12 THR A 135
ARG A 107
PHE A  50
VAL A  48
MET A  78
 None
PG4  A1285 (-3.5A)
None
None
None
 1.23A 2vaxL-5aocA:
14.3		 2vaxL-5aocA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VMY_A_GLYA502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 7 SER A 135
HIS A 259
TYR A 137
TYR A 129
 None
SO4  A 278 (-4.2A)
PG4  A 281 ( 3.4A)
PG4  A 281 (-4.4A)
 1.25A 2vmyA-3oosA:
undetectable
2vmyB-3oosA:
undetectable		 2vmyA-3oosA:
22.84
2vmyB-3oosA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 8 TYR A 137
TYR A 129
SER A 135
HIS A 259
 PG4  A 281 ( 3.4A)
PG4  A 281 (-4.4A)
None
SO4  A 278 (-4.2A)
 1.30A 2vmyA-3oosA:
undetectable
2vmyB-3oosA:
undetectable		 2vmyA-3oosA:
22.84
2vmyB-3oosA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VN1_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 2peb PUTATIVE DIOXYGENASE
(Nostoc
punctiforme) 		4 / 6 LEU A  32
SER A  21
PHE A  17
ASP A  18
 None
PG4  A 202 (-2.8A)
None
PG4  A 202 (-2.8A)
 1.25A 2vn1B-2pebA:
undetectable		 2vn1B-2pebA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)		 2veo LIPASE A
(Moesziomyces
antarcticus) 		5 / 12 ILE A 150
ALA A 148
ILE A 301
PRO A 300
LEU A 305
 PG4  A1443 ( 4.1A)
None
None
None
None
 1.11A 2w3bA-2veoA:
undetectable		 2w3bA-2veoA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3B_B_FOLB401_0
(DIHYDROFOLATE
REDUCTASE)		 2veo LIPASE A
(Moesziomyces
antarcticus) 		5 / 12 ILE A 150
ALA A 148
ILE A 301
PRO A 300
LEU A 305
 PG4  A1443 ( 4.1A)
None
None
None
None
 1.08A 2w3bB-2veoA:
undetectable		 2w3bB-2veoA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3M_A_FOLA1188_0
(DIHYDROFOLATE
REDUCTASE)		 2veo LIPASE A
(Moesziomyces
antarcticus) 		5 / 12 ILE A 150
ALA A 148
ILE A 301
PRO A 300
LEU A 305
 PG4  A1443 ( 4.1A)
None
None
None
None
 1.05A 2w3mA-2veoA:
undetectable		 2w3mA-2veoA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W98_B_P1ZB1359_1
(PROSTAGLANDIN
REDUCTASE 2)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		4 / 6 THR A 579
GLU A 576
MET A 522
PHE A 505
 PG4  A1595 (-3.9A)
PG4  A1595 (-3.7A)
None
None
 1.31A 2w98B-2v6oA:
undetectable		 2w98B-2v6oA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W98_B_P1ZB1359_1
(PROSTAGLANDIN
REDUCTASE 2)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		4 / 6 THR A 580
GLU A 576
MET A 522
PHE A 505
 PG4  A1595 (-4.1A)
PG4  A1595 (-3.7A)
None
None
 1.37A 2w98B-2v6oA:
undetectable		 2w98B-2v6oA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2N_C_X2NC1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 5d2e MLNE
(Bacillus
velezensis) 		5 / 12 TYR A 346
VAL A 275
ALA A 332
THR A 313
LEU A 317
 PG4  A 603 (-3.4A)
None
PG4  A 603 (-3.9A)
None
None
 1.29A 2x2nC-5d2eA:
undetectable		 2x2nC-5d2eA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X45_A_HSMA1160_1
(ALLERGEN ARG R 1)		 4kt5 GRLR
(Escherichia
coli) 		4 / 6 TYR A  40
VAL A  54
TYR A  71
ASP A  35
 PG4  A 201 (-4.0A)
None
None
None
 1.46A 2x45A-4kt5A:
3.0		 2x45A-4kt5A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X45_C_HSMC1160_1
(ALLERGEN ARG R 1)		 4zoh PUTATIVE
OXIDOREDUCTASE
FAD-BINDING SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 7 SER B  83
TYR B  69
VAL B 166
ILE B  80
 PG4  B 303 ( 4.9A)
None
None
None
 1.05A 2x45C-4zohB:
undetectable		 2x45C-4zohB:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		 3qt4 CATHEPSIN-L-LIKE
MIDGUT CYSTEINE
PROTEINASE
(Tenebrio
molitor) 		3 / 3 MET A  59
VAL A  53
GLU A  43
 PG4  A 415 (-4.6A)
None
None
 0.88A 2x9gA-3qt4A:
undetectable		 2x9gA-3qt4A:
20.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XAD_E_GCSE710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3dff TEICOPLANIN
PSEUDOAGLYCONE
DEACETYLASES ORF2
(Actinoplanes
teichomyceticus) 		8 / 8 HIS A  16
TRP A  63
ARG A  75
ASP A  97
SER A  98
ILE A  99
HIS A 161
ASP A 163
 ZN  A 274 ( 3.2A)
None
PG4  A 400 (-2.7A)
PG4  A 400 (-3.1A)
PG4  A 400 (-3.0A)
PG4  A 400 (-4.6A)
PG4  A 400 (-4.2A)
None
 0.33A 2xadA-3dffA:
43.0		 2xadA-3dffA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XAD_F_GCSF710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3dff TEICOPLANIN
PSEUDOAGLYCONE
DEACETYLASES ORF2
(Actinoplanes
teichomyceticus) 		8 / 8 HIS A  16
TRP A  63
ARG A  75
ASP A  97
SER A  98
ILE A  99
HIS A 161
ASP A 163
 ZN  A 274 ( 3.2A)
None
PG4  A 400 (-2.7A)
PG4  A 400 (-3.1A)
PG4  A 400 (-3.0A)
PG4  A 400 (-4.6A)
PG4  A 400 (-4.2A)
None
 0.33A 2xadB-3dffA:
42.6		 2xadB-3dffA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XAD_G_GCSG710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3dff TEICOPLANIN
PSEUDOAGLYCONE
DEACETYLASES ORF2
(Actinoplanes
teichomyceticus) 		8 / 8 HIS A  16
TRP A  63
ARG A  75
ASP A  97
SER A  98
ILE A  99
HIS A 161
ASP A 163
 ZN  A 274 ( 3.2A)
None
PG4  A 400 (-2.7A)
PG4  A 400 (-3.1A)
PG4  A 400 (-3.0A)
PG4  A 400 (-4.6A)
PG4  A 400 (-4.2A)
None
 0.32A 2xadC-3dffA:
42.4		 2xadC-3dffA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XAD_H_GCSH710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 3dff TEICOPLANIN
PSEUDOAGLYCONE
DEACETYLASES ORF2
(Actinoplanes
teichomyceticus) 		8 / 8 HIS A  16
TRP A  63
ARG A  75
ASP A  97
SER A  98
ILE A  99
HIS A 161
ASP A 163
 ZN  A 274 ( 3.2A)
None
PG4  A 400 (-2.7A)
PG4  A 400 (-3.1A)
PG4  A 400 (-3.0A)
PG4  A 400 (-4.6A)
PG4  A 400 (-4.2A)
None
 0.32A 2xadD-3dffA:
42.6		 2xadD-3dffA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_B_VD3B2001_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 11 ILE A  76
LEU A 159
LEU A 226
ILE A 229
THR A 234
 HEM  A1400 (-4.1A)
None
HEM  A1400 (-4.4A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
 0.80A 3a50B-2xkrA:
45.0		 3a50B-2xkrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_B_VD3B2001_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 11 MET A  74
ILE A  76
LEU A 159
LEU A 226
THR A 234
 PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
None
HEM  A1400 (-4.4A)
HEM  A1400 (-3.7A)
 0.76A 3a50B-2xkrA:
45.0		 3a50B-2xkrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_C_VD3C2001_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 11 ILE A  76
LEU A 159
LEU A 226
ILE A 229
THR A 234
 HEM  A1400 (-4.1A)
None
HEM  A1400 (-4.4A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
 0.76A 3a50C-2xkrA:
44.9		 3a50C-2xkrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_C_VD3C2001_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 11 MET A  74
ILE A  76
LEU A 159
LEU A 226
THR A 234
 PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
None
HEM  A1400 (-4.4A)
HEM  A1400 (-3.7A)
 0.73A 3a50C-2xkrA:
44.9		 3a50C-2xkrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_D_VD3D2001_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 MET A  74
ILE A  76
LEU A 159
ILE A 229
THR A 234
 PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
None
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
 0.86A 3a50D-2xkrA:
45.0		 3a50D-2xkrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A50_E_VD3E2001_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		6 / 12 MET A  74
ILE A  76
LEU A 159
LEU A 226
ILE A 229
THR A 234
 PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
None
HEM  A1400 (-4.4A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
 0.82A 3a50E-2xkrA:
45.1		 3a50E-2xkrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A51_A_VDYA6178_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		6 / 11 MET A  74
ILE A  76
LEU A 226
ILE A 229
THR A 234
VAL A 277
 PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
HEM  A1400 (-4.4A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
 0.69A 3a51A-2xkrA:
45.4		 3a51A-2xkrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A51_C_VDYC6178_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 MET A  74
ILE A  76
ILE A 229
THR A 234
VAL A 277
 PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
 0.71A 3a51C-2xkrA:
45.1		 3a51C-2xkrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A51_D_VDYD6178_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		6 / 12 MET A  74
ILE A  76
LEU A 226
ILE A 229
THR A 234
VAL A 277
 PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
HEM  A1400 (-4.4A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
 0.64A 3a51D-2xkrA:
45.0		 3a51D-2xkrA:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A51_E_VDYE6178_1
(VITAMIN D
HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 MET A  74
ILE A  76
ILE A 229
THR A 234
VAL A 277
 PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
 0.67A 3a51E-2xkrA:
45.2		 3a51E-2xkrA:
35.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG1_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 5 TYR A  92
MET A  85
THR A 157
LEU A 158
 PG4  A1218 (-3.6A)
None
None
None
 1.18A 3ag1J-2caiA:
undetectable		 3ag1J-2caiA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AOC_C_ERYC3402_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 4jrf PUTATIVE CELL
ADHESION PROTEIN
(Bacteroides
ovatus) 		3 / 3 THR A 487
SER A 280
LYS A 246
 PG4  A 614 (-3.6A)
None
None
 1.21A 3aocC-4jrfA:
undetectable		 3aocC-4jrfA:
19.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3apu ALPHA-1-ACID
GLYCOPROTEIN 2
(Homo
sapiens) 		6 / 12 TYR A  37
GLU A  64
ARG A  90
HIS A  97
SER A  30
TYR A  27
 None
PG4  A 190 (-4.1A)
PG4  A 190 (-4.3A)
None
None
PG4  A 190 ( 3.8A)
 1.37A 3apvA-3apuA:
32.7		 3apvA-3apuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3apu ALPHA-1-ACID
GLYCOPROTEIN 2
(Homo
sapiens) 		6 / 12 TYR A  37
PHE A  49
LEU A  62
HIS A  97
ALA A  99
SER A 114
 None
PG4  A 190 ( 4.1A)
None
None
PG4  A 190 ( 4.2A)
None
 1.48A 3apvA-3apuA:
32.7		 3apvA-3apuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3apu ALPHA-1-ACID
GLYCOPROTEIN 2
(Homo
sapiens) 		12 / 12 TYR A  37
VAL A  41
PHE A  49
PHE A  51
LEU A  62
GLU A  64
ARG A  90
HIS A  97
ALA A  99
SER A 114
SER A 125
TYR A 127
 None
PG4  A 190 (-4.9A)
PG4  A 190 ( 4.1A)
None
None
PG4  A 190 (-4.1A)
PG4  A 190 (-4.3A)
None
PG4  A 190 ( 4.2A)
None
PG4  A 190 ( 3.7A)
None
 0.61A 3apvA-3apuA:
32.7		 3apvA-3apuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3apu ALPHA-1-ACID
GLYCOPROTEIN 2
(Homo
sapiens) 		11 / 12 PHE A  32
TYR A  37
VAL A  41
PHE A  49
PHE A  51
LEU A  62
GLU A  64
ARG A  90
HIS A  97
ALA A  99
SER A 125
 None
None
PG4  A 190 (-4.9A)
PG4  A 190 ( 4.1A)
None
None
PG4  A 190 (-4.1A)
PG4  A 190 (-4.3A)
None
PG4  A 190 ( 4.2A)
PG4  A 190 ( 3.7A)
 0.71A 3apvB-3apuA:
32.5		 3apvB-3apuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3apu ALPHA-1-ACID
GLYCOPROTEIN 2
(Homo
sapiens) 		11 / 12 PHE A  32
TYR A  37
VAL A  41
PHE A  49
PHE A  51
LEU A  62
GLU A  64
HIS A  97
ALA A  99
SER A 125
TYR A 127
 None
None
PG4  A 190 (-4.9A)
PG4  A 190 ( 4.1A)
None
None
PG4  A 190 (-4.1A)
None
PG4  A 190 ( 4.2A)
PG4  A 190 ( 3.7A)
None
 0.49A 3apvB-3apuA:
32.5		 3apvB-3apuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3apu ALPHA-1-ACID
GLYCOPROTEIN 2
(Homo
sapiens) 		8 / 12 PHE A  32
TYR A  37
VAL A  41
PHE A  51
LEU A  79
HIS A  97
SER A 125
TYR A 127
 None
None
PG4  A 190 (-4.9A)
None
None
None
PG4  A 190 ( 3.7A)
None
 1.41A 3apvB-3apuA:
32.5		 3apvB-3apuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3apu ALPHA-1-ACID
GLYCOPROTEIN 2
(Homo
sapiens) 		12 / 12 TYR A  27
PHE A  32
TYR A  37
VAL A  41
ILE A  44
PHE A  49
PHE A  51
GLU A  64
ALA A  99
SER A 114
SER A 125
TYR A 127
 PG4  A 190 ( 3.8A)
None
None
PG4  A 190 (-4.9A)
None
PG4  A 190 ( 4.1A)
None
PG4  A 190 (-4.1A)
PG4  A 190 ( 4.2A)
None
PG4  A 190 ( 3.7A)
None
 0.50A 3apwA-3apuA:
33.4		 3apwA-3apuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3APW_A_DP0A190_2
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3apu ALPHA-1-ACID
GLYCOPROTEIN 2
(Homo
sapiens) 		4 / 4 VAL A  88
ARG A  90
HIS A  97
PHE A 112
 None
PG4  A 190 (-4.3A)
None
PG4  A 190 ( 3.9A)
 0.28A 3apwA-3apuA:
33.4		 3apwA-3apuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3apu ALPHA-1-ACID
GLYCOPROTEIN 2
(Homo
sapiens) 		12 / 12 VAL A  41
ILE A  44
PHE A  49
PHE A  51
LEU A  62
GLU A  64
GLN A  66
ARG A  90
ALA A  99
PHE A 112
SER A 125
TYR A 127
 PG4  A 190 (-4.9A)
None
PG4  A 190 ( 4.1A)
None
None
PG4  A 190 (-4.1A)
None
PG4  A 190 (-4.3A)
PG4  A 190 ( 4.2A)
PG4  A 190 ( 3.9A)
PG4  A 190 ( 3.7A)
None
 0.66A 3apwB-3apuA:
31.9		 3apwB-3apuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3APX_A_Z80A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3apu ALPHA-1-ACID
GLYCOPROTEIN 2
(Homo
sapiens) 		5 / 12 PHE A  32
PHE A  51
LEU A  62
PHE A 112
TYR A 127
 None
None
None
PG4  A 190 ( 3.9A)
None
 1.36A 3apxA-3apuA:
31.5		 3apxA-3apuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3APX_A_Z80A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3apu ALPHA-1-ACID
GLYCOPROTEIN 2
(Homo
sapiens) 		10 / 12 PHE A  32
VAL A  41
THR A  47
PHE A  49
PHE A  51
GLU A  64
LEU A  79
ALA A  99
PHE A 112
TYR A 127
 None
PG4  A 190 (-4.9A)
PG4  A 190 ( 4.6A)
PG4  A 190 ( 4.1A)
None
PG4  A 190 (-4.1A)
None
PG4  A 190 ( 4.2A)
PG4  A 190 ( 3.9A)
None
 0.56A 3apxA-3apuA:
31.5		 3apxA-3apuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3APX_A_Z80A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3apu ALPHA-1-ACID
GLYCOPROTEIN 2
(Homo
sapiens) 		10 / 12 PHE A  32
VAL A  41
THR A  47
PHE A  49
PHE A  51
GLU A  64
LEU A  79
ARG A  90
GLU A  92
TYR A 127
 None
PG4  A 190 (-4.9A)
PG4  A 190 ( 4.6A)
PG4  A 190 ( 4.1A)
None
PG4  A 190 (-4.1A)
None
PG4  A 190 (-4.3A)
None
None
 0.91A 3apxA-3apuA:
31.5		 3apxA-3apuA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B3M_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.33A 3b3mA-3nkzA:
undetectable
3b3mB-3nkzA:
undetectable		 3b3mA-3nkzA:
15.33
3b3mB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B3N_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.33A 3b3nA-3nkzA:
undetectable
3b3nB-3nkzA:
undetectable		 3b3nA-3nkzA:
15.33
3b3nB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B3O_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.29A 3b3oA-3nkzA:
undetectable
3b3oB-3nkzA:
undetectable		 3b3oA-3nkzA:
15.33
3b3oB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B3P_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.30A 3b3pA-3nkzA:
undetectable
3b3pB-3nkzA:
2.3		 3b3pA-3nkzA:
15.33
3b3pB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		 3bjq PHAGE-RELATED
PROTEIN
(Bordetella
bronchiseptica) 		4 / 6 ALA A 119
LEU A 120
ALA A 226
THR A 225
 PG4  A 316 ( 4.0A)
None
None
None
 0.84A 3b6hA-3bjqA:
undetectable		 3b6hA-3bjqA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B6H_B_MXDB551_1
(PROSTACYCLIN
SYNTHASE)		 3bjq PHAGE-RELATED
PROTEIN
(Bordetella
bronchiseptica) 		4 / 6 ALA A 119
LEU A 120
ALA A 226
THR A 225
 PG4  A 316 ( 4.0A)
None
None
None
 0.83A 3b6hB-3bjqA:
undetectable		 3b6hB-3bjqA:
20.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3B9M_A_SALA1100_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		4 / 4 LEU A 218
ARG A 256
LEU A 259
ALA A 290
 None
PG4  A 602 (-4.1A)
PG4  A 602 ( 4.5A)
PG4  A 602 (-3.4A)
 0.60A 3b9mA-5dqfA:
38.6		 3b9mA-5dqfA:
76.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_C_SVRC505_2
(PHOSPHOLIPASE A2)		 3bs6 INNER MEMBRANE
PROTEIN OXAA
(Escherichia
coli) 		4 / 5 VAL A 253
GLN A 198
PHE A 193
ARG A 219
 None
None
PG4  A 336 (-3.9A)
None
 1.30A 3bjwH-3bs6A:
undetectable		 3bjwH-3bs6A:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_F_SVRF502_2
(PHOSPHOLIPASE A2)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		4 / 5 ILE A 237
SER A 229
PRO A 230
PRO A 232
 None
None
PG4  A 358 (-4.3A)
None
 1.13A 3bjwC-2rauA:
undetectable		 3bjwC-2rauA:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_G_SVRG506_2
(PHOSPHOLIPASE A2)		 3bs6 INNER MEMBRANE
PROTEIN OXAA
(Escherichia
coli) 		4 / 5 VAL A 253
GLN A 198
PHE A 193
ARG A 219
 None
None
PG4  A 336 (-3.9A)
None
 1.25A 3bjwB-3bs6A:
undetectable		 3bjwB-3bs6A:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BU1_A_HSMA301_1
(LIPOCALIN)		 4zoh PUTATIVE
OXIDOREDUCTASE
FAD-BINDING SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 7 SER B  83
TYR B  69
VAL B 166
ILE B  80
 PG4  B 303 ( 4.9A)
None
None
None
 1.07A 3bu1A-4zohB:
undetectable		 3bu1A-4zohB:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 5 HIS A 105
ASP A  80
HIS A 104
ASP A  25
 PG4  A 403 (-4.5A)
MN  A 401 ( 2.6A)
MN  A 402 (-3.5A)
MN  A 402 (-3.1A)
 1.22A 3c0zA-5o25A:
undetectable		 3c0zA-5o25A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 5 HIS A 105
HIS A 286
ASP A  80
ASP A  23
 PG4  A 403 (-4.5A)
PG4  A 403 ( 4.7A)
MN  A 401 ( 2.6A)
MN  A 401 (-2.0A)
 1.24A 3c0zA-5o25A:
undetectable		 3c0zA-5o25A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 5 HIS A 105
HIS A 286
ASP A  80
ASP A  25
 PG4  A 403 (-4.5A)
PG4  A 403 ( 4.7A)
MN  A 401 ( 2.6A)
MN  A 402 (-3.1A)
 1.23A 3c0zA-5o25A:
undetectable		 3c0zA-5o25A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 6 HIS A 104
HIS A 105
ASP A 154
ASP A  23
 MN  A 402 (-3.5A)
PG4  A 403 (-4.5A)
MN  A 402 (-2.8A)
MN  A 401 (-2.0A)
 1.19A 3c0zC-5o25A:
undetectable		 3c0zC-5o25A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CSJ_B_CBLB211_0
(GLUTATHIONE
S-TRANSFERASE P)		 3os7 GALACTOSE
MUTAROTASE-LIKE
PROTEIN
(Clostridium
acetobutylicum) 		5 / 9 TYR A 106
PHE A  96
PRO A  97
GLY A 109
ILE A 111
 PG4  A 400 ( 4.4A)
PG4  A 400 ( 3.9A)
PG4  A 400 (-4.4A)
None
None
 1.45A 3csjB-3os7A:
undetectable		 3csjB-3os7A:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		 4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE
(Chromobacterium
violaceum) 		5 / 12 VAL A 137
ALA A 140
VAL A 103
THR A 188
ILE A 127
 None
None
PG4  A 504 ( 4.7A)
None
None
 1.03A 3czhA-4f0sA:
undetectable		 3czhA-4f0sA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DCM_X_SAMX5452_0
(UNCHARACTERIZED
PROTEIN TM_1570)		 6d8j POLYKETIDE SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 11 ALA A  62
LEU A  73
SER A  74
VAL A  75
ALA A  78
 PG4  A 106 ( 3.7A)
None
EDO  A 107 (-3.8A)
None
PG4  A 106 ( 3.5A)
 0.84A 3dcmX-6d8jA:
undetectable		 3dcmX-6d8jA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E68_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 5bwd BENZYLSUCCINATE
SYNTHASE ALPHA CHAIN
(Thauera
aromatica) 		3 / 3 ARG A  75
ILE A 157
TRP A 161
 None
PG4  A 907 (-4.7A)
None
 1.19A 3e68A-5bwdA:
undetectable		 3e68A-5bwdA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E9X_A_NIMA1_1
(LACTOTRANSFERRIN')		 4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE
(Azoarcus
sp.
BH72) 		4 / 4 GLU A  16
GLY A  18
THR A  19
GLU A  20
 PG4  A1598 ( 4.4A)
None
None
None
 1.04A 3e9xA-4d5gA:
1.9		 3e9xA-4d5gA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL0_A_1UNA201_1
(PROTEASE)		 3pet PUTATIVE ADHESIN
(Bacteroides
fragilis) 		4 / 8 GLY A  50
ALA A  49
ASP A  48
ILE A  55
 PG4  A 251 ( 4.2A)
None
None
None
 0.64A 3el0A-3petA:
undetectable		 3el0A-3petA:
15.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM4_A_DR7A100_1
(PROTEASE)		 3pet PUTATIVE ADHESIN
(Bacteroides
fragilis) 		5 / 11 GLY A  50
ALA A  49
ASP A  48
ILE A 116
ILE A  55
 PG4  A 251 ( 4.2A)
None
None
None
None
 0.88A 3em4A-3petA:
undetectable		 3em4A-3petA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM4_V_DR7V100_1
(PROTEASE)		 3pet PUTATIVE ADHESIN
(Bacteroides
fragilis) 		5 / 11 GLY A  50
ALA A  49
ASP A  48
ILE A 116
ILE A  55
 PG4  A 251 ( 4.2A)
None
None
None
None
 0.94A 3em4U-3petA:
undetectable		 3em4U-3petA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EQM_A_ASDA601_1
(CYTOCHROME P450 19A1)		 4g79 SPINDLE ASSEMBLY
ABNORMAL PROTEIN 6
(Caenorhabditis
elegans) 		5 / 10 ILE A  55
PHE A  65
ILE A 105
THR A  32
LEU A 109
 None
None
None
PG4  A 205 (-4.6A)
None
 1.02A 3eqmA-4g79A:
undetectable		 3eqmA-4g79A:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ETE_B_H3PB552_1
(GLUTAMATE
DEHYDROGENASE)		 3lur PUTATIVE BACTERIAL
TRANSCRIPTION
REGULATION PROTEIN
(Staphylococcus
aureus) 		3 / 3 TYR A 137
TYR A  38
ILE A  43
 PG4  A 158 ( 3.8A)
PG4  A 158 (-4.6A)
None
 0.85A 3eteA-3lurA:
undetectable
3eteB-3lurA:
undetectable		 3eteA-3lurA:
15.49
3eteB-3lurA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FPJ_B_SAMB301_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 ILE A 262
GLU A 256
LEU A 253
VAL A 306
ARG A 267
 None
None
None
None
PG4  A 403 ( 3.6A)
 0.90A 3fpjB-5o25A:
3.1		 3fpjB-5o25A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FPJ_B_SAMB301_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 3h41 NLP/P60 FAMILY
PROTEIN
(Bacillus
cereus) 		4 / 7 GLY A 285
GLY A 287
GLU A 323
ALA A 326
 None
PG4  A   5 ( 4.4A)
None
None
 0.82A 3fpjB-3h41A:
undetectable		 3fpjB-3h41A:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_C_ADNC438_2
(ADENOSYLHOMOCYSTEINA
SE)		 3lxm ASPARTATE
CARBAMOYLTRANSFERASE
(Yersinia
pestis) 		4 / 5 THR A 145
THR A 169
HIS A 135
HIS A 266
 None
None
PG4  A 312 (-4.5A)
None
 1.24A 3g1uC-3lxmA:
10.4		 3g1uC-3lxmA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GCS_A_BAXA401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 6 LEU A 303
MET A 280
ILE A 138
ILE A 229
 None
HEM  A1400 ( 4.4A)
None
PG4  A1399 ( 4.5A)
 0.95A 3gcsA-2xkrA:
undetectable		 3gcsA-2xkrA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWX_B_EPAB3_1
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN
(Bacteroides
thetaiotaomicron) 		5 / 12 THR A 411
HIS A 121
ILE A 646
HIS A 456
LEU A 128
 PG4  A1205 (-4.4A)
None
RPQ  A1204 ( 4.3A)
None
None
 1.29A 3gwxB-5mqmA:
undetectable		 3gwxB-5mqmA:
12.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_C_LEIC16_0
(COIL SER L16D-PEN)		 4ov6 PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9
(Homo
sapiens) 		4 / 6 LEU B 406
GLN B 413
LEU B 411
GLU B 410
 None
PG4  B 503 (-3.5A)
None
None
 1.13A 3h5gB-4ov6B:
undetectable
3h5gC-4ov6B:
undetectable		 3h5gB-4ov6B:
6.12
3h5gC-4ov6B:
6.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_A_TMQA611_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5d2e MLNE
(Bacillus
velezensis) 		5 / 10 VAL A 330
ALA A 332
ILE A 357
LEU A 354
ILE A 302
 PG4  A 603 (-4.6A)
PG4  A 603 (-3.9A)
None
None
None
 1.09A 3hbbA-5d2eA:
undetectable		 3hbbA-5d2eA:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HS6_B_EPAB1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 12 GLY A  56
ASN A  55
ILE A  59
GLY A 459
ALA A 460
 None
None
None
PG4  A1596 ( 4.6A)
None
 0.90A 3hs6B-2v6oA:
undetectable		 3hs6B-2v6oA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HSN_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.35A 3hsnA-3nkzA:
undetectable
3hsnB-3nkzA:
undetectable		 3hsnA-3nkzA:
15.33
3hsnB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HSN_B_H4BB1760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.34A 3hsnA-3nkzA:
undetectable
3hsnB-3nkzA:
undetectable		 3hsnA-3nkzA:
15.33
3hsnB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HSO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.34A 3hsoA-3nkzA:
undetectable
3hsoB-3nkzA:
undetectable		 3hsoA-3nkzA:
15.33
3hsoB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HSO_B_H4BB1760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.36A 3hsoA-3nkzA:
undetectable
3hsoB-3nkzA:
undetectable		 3hsoA-3nkzA:
15.33
3hsoB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		3 / 3 GLU A 129
GLY A 131
THR A 132
 MES  A 361 (-3.4A)
None
PG4  A 364 (-4.5A)
 0.55A 3iazA-3l6aA:
undetectable		 3iazA-3l6aA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		 5kf7 BIFUNCTIONAL PROTEIN
PUTA
(Sinorhizobium
meliloti) 		3 / 3 GLU A 674
GLY A 715
THR A 714
 PG4  A2005 (-3.8A)
None
None
 0.56A 3iazA-5kf7A:
undetectable		 3iazA-5kf7A:
14.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JT5_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.35A 3jt5A-3nkzA:
undetectable
3jt5B-3nkzA:
undetectable		 3jt5A-3nkzA:
15.33
3jt5B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JT6_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.36A 3jt6A-3nkzA:
undetectable
3jt6B-3nkzA:
undetectable		 3jt6A-3nkzA:
15.33
3jt6B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JT8_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.36A 3jt8A-3nkzA:
undetectable
3jt8B-3nkzA:
undetectable		 3jt8A-3nkzA:
15.33
3jt8B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JT9_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.39A 3jt9A-3nkzA:
undetectable
3jt9B-3nkzA:
undetectable		 3jt9A-3nkzA:
15.33
3jt9B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWS_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.31A 3jwsA-3nkzA:
undetectable
3jwsB-3nkzA:
undetectable		 3jwsA-3nkzA:
15.33
3jwsB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWS_B_H4BB761_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.33A 3jwsA-3nkzA:
undetectable
3jwsB-3nkzA:
undetectable		 3jwsA-3nkzA:
15.33
3jwsB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWU_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.32A 3jwuA-3nkzA:
undetectable
3jwuB-3nkzA:
undetectable		 3jwuA-3nkzA:
15.33
3jwuB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWU_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.30A 3jwuA-3nkzA:
undetectable
3jwuB-3nkzA:
undetectable		 3jwuA-3nkzA:
15.33
3jwuB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWV_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.35A 3jwvA-3nkzA:
undetectable
3jwvB-3nkzA:
undetectable		 3jwvA-3nkzA:
15.33
3jwvB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.31A 3jx0A-3nkzA:
4.0
3jx0B-3nkzA:
undetectable		 3jx0A-3nkzA:
15.33
3jx0B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX1_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.38A 3jx1A-3nkzA:
undetectable
3jx1B-3nkzA:
undetectable		 3jx1A-3nkzA:
15.33
3jx1B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_4
(HIV-1 PROTEASE)		 4ke4 HYDROXYCINNAMOYL-COA
:SHIKIMATE
HYDROXYCINNAMOYL
TRANSFERASE
(Sorghum
bicolor) 		3 / 3 ARG A 304
VAL A 210
THR A 322
 PG4  A 502 (-2.8A)
None
None
 0.61A 3k4vD-4ke4A:
undetectable		 3k4vD-4ke4A:
11.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_C_30BC500_2
(GENOME POLYPROTEIN)		 4ov6 PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9
(Homo
sapiens) 		4 / 4 GLN B 433
PHE B 355
TYR B 325
LEU B 440
 None
None
None
PG4  B 503 ( 4.7A)
 1.43A 3keeC-4ov6B:
0.0		 3keeC-4ov6B:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_K_TFPK201_1
(PROTEIN S100-A4)		 4kt5 GRLR
(Escherichia
coli) 		4 / 8 GLY A  34
ILE A  75
CYH A  90
PHE A  99
 None
None
PG4  A 201 ( 4.6A)
None
 1.02A 3ko0K-4kt5A:
undetectable
3ko0S-4kt5A:
undetectable		 3ko0K-4kt5A:
22.56
3ko0S-4kt5A:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP5_A_KANA2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 2r44 UNCHARACTERIZED
PROTEIN
(Cytophaga
hutchinsonii) 		5 / 11 VAL A 271
ASN A 267
ALA A 260
HIS A 299
ASN A 298
 None
None
None
None
PG4  A 332 (-4.1A)
 1.29A 3kp5A-2r44A:
0.0		 3kp5A-2r44A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP5_B_KANB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 4ky0 PROTON/GLUTAMATE
SYMPORTER, SDF
FAMILY
(Thermococcus
kodakarensis) 		3 / 3 ALA A  78
ARG A  82
LYS A  86
 None
PG4  A 501 (-4.8A)
PG4  A 501 (-4.5A)
 0.86A 3kp5B-4ky0A:
undetectable		 3kp5B-4ky0A:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP6_B_SALB3006_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 3k6o UNCHARACTERIZED
PROTEIN DUF1344
(Bacteroides
vulgatus) 		4 / 6 ASN A 114
ILE A 121
GLU A 160
ASN A 159
 None
None
PG4  A   1 (-3.2A)
None
 1.19A 3kp6A-3k6oA:
undetectable
3kp6B-3k6oA:
undetectable		 3kp6A-3k6oA:
21.03
3kp6B-3k6oA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP6_B_SALB3006_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 3k6o UNCHARACTERIZED
PROTEIN DUF1344
(Bacteroides
vulgatus) 		4 / 6 MET A 118
ILE A 121
GLU A 160
ASN A 159
 None
None
PG4  A   1 (-3.2A)
None
 1.15A 3kp6A-3k6oA:
undetectable
3kp6B-3k6oA:
undetectable		 3kp6A-3k6oA:
21.03
3kp6B-3k6oA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPB_D_SAMD1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 4i4k UNCHARACTERIZED
PROTEIN SGCJ
(Streptomyces
globisporus) 		5 / 10 ILE A 100
THR A  75
VAL A  77
ILE A  78
SER A 109
 None
None
PG4  A 202 (-4.7A)
None
None
 1.43A 3kpbD-4i4kA:
undetectable		 3kpbD-4i4kA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPC_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 3oqp PUTATIVE
ISOCHORISMATASE
(Paraburkholderia
xenovorans) 		5 / 11 ILE A   9
THR A 125
VAL A  51
ILE A  52
ASN A  55
 None
None
None
None
PG4  A 302 (-3.2A)
 1.27A 3kpcA-3oqpA:
undetectable		 3kpcA-3oqpA:
24.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KU9_B_SPMB700_1
(POLYAMINE OXIDASE)		 3en8 UNCHARACTERIZED
NTF-2 LIKE PROTEIN
(Paraburkholderia
xenovorans) 		4 / 7 GLU A  25
TYR A  37
TYR A  80
PHE A  64
 None
PG4  A 131 ( 4.1A)
None
None
 1.16A 3ku9B-3en8A:
undetectable		 3ku9B-3en8A:
15.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		 4nv4 SIGNAL PEPTIDASE I
(Bacillus
anthracis) 		4 / 6 PHE A 143
PHE A 126
HIS A 157
VAL A 145
 None
None
PG4  A 201 (-3.9A)
None
 1.14A 3lb3B-4nv4A:
undetectable		 3lb3B-4nv4A:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LK0_D_Z80D92_1
(PROTEIN S100-B)		 5hx0 UNCHARACTERIZED
PROTEIN DFER_1899
(Dyadobacter
fermentans) 		3 / 3 HIS A  88
PHE A 164
PHE A 157
 ACT  A 402 (-4.2A)
PG4  A 401 ( 4.1A)
PG4  A 401 (-3.6A)
 0.79A 3lk0D-5hx0A:
undetectable		 3lk0D-5hx0A:
13.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LM8_B_VIBB223_1
(THIAMINE
PYROPHOSPHOKINASE)		 3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE
(Brucella
melitensis) 		4 / 7 LEU A 154
SER A 160
ASN A 162
THR A 124
 None
None
PG4  A 280 ( 4.9A)
None
 0.99A 3lm8B-3fs2A:
undetectable
3lm8D-3fs2A:
undetectable		 3lm8B-3fs2A:
20.78
3lm8D-3fs2A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LXI_A_CAMA423_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 10 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.70A 3lxiA-2xkrA:
44.2		 3lxiA-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LXI_B_CAMB423_0
(CYTOCHROME P450)		 1ued P450 MONOOXYGENASE
(Amycolatopsis
orientalis) 		5 / 11 LEU A 244
GLY A 245
THR A 249
VAL A 292
VAL A 396
 PG4  A4502 ( 4.3A)
PG4  A4502 ( 3.7A)
HEM  A1430 (-3.5A)
HEM  A1430 (-4.4A)
None
 1.06A 3lxiB-1uedA:
37.3		 3lxiB-1uedA:
26.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LXI_B_CAMB423_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.72A 3lxiB-2xkrA:
43.8		 3lxiB-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MIH_A_CUA358_0
(PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE)		 3wo5 AP-4-A PHOSPHORYLASE
(Mycobacterium
tuberculosis) 		3 / 3 HIS A  91
HIS A 155
MET A  93
 None
PO4  A 301 (-3.9A)
PG4  A 302 (-4.9A)
 0.79A 3mihA-3wo5A:
undetectable		 3mihA-3wo5A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MIH_A_CUA358_0
(PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE)		 3wo5 AP-4-A PHOSPHORYLASE
(Mycobacterium
tuberculosis) 		3 / 3 HIS A 155
HIS A 153
MET A  93
 PO4  A 301 (-3.9A)
PO4  A 301 (-3.9A)
PG4  A 302 (-4.9A)
 0.93A 3mihA-3wo5A:
undetectable		 3mihA-3wo5A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N5Y_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.40A 3n5yA-3nkzA:
undetectable
3n5yB-3nkzA:
undetectable		 3n5yA-3nkzA:
15.33
3n5yB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N5Z_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.39A 3n5zA-3nkzA:
undetectable
3n5zB-3nkzA:
undetectable		 3n5zA-3nkzA:
15.33
3n5zB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8Y_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 1h17 FORMATE
ACETYLTRANSFERASE 1
(Escherichia
coli) 		5 / 11 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
 None
None
None
None
PG4  A9013 (-3.9A)
 1.10A 3n8yA-1h17A:
0.0		 3n8yA-1h17A:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDT_A_ROCA101_2
(PROTEASE)		 4ke4 HYDROXYCINNAMOYL-COA
:SHIKIMATE
HYDROXYCINNAMOYL
TRANSFERASE
(Sorghum
bicolor) 		3 / 3 ARG A 304
VAL A 210
THR A 322
 PG4  A 502 (-2.8A)
None
None
 0.72A 3ndtA-4ke4A:
undetectable		 3ndtA-4ke4A:
11.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLV_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.33A 3nlvA-3nkzA:
undetectable
3nlvB-3nkzA:
undetectable		 3nlvA-3nkzA:
15.33
3nlvB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLX_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.39A 3nlxA-3nkzA:
undetectable
3nlxB-3nkzA:
undetectable		 3nlxA-3nkzA:
15.33
3nlxB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLZ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.39A 3nlzA-3nkzA:
undetectable
3nlzB-3nkzA:
undetectable		 3nlzA-3nkzA:
15.33
3nlzB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NM0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.34A 3nm0A-3nkzA:
2.2
3nm0B-3nkzA:
undetectable		 3nm0A-3nkzA:
15.33
3nm0B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NNZ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.32A 3nnzA-3nkzA:
undetectable
3nnzB-3nkzA:
undetectable		 3nnzA-3nkzA:
15.33
3nnzB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NT1_B_NPSB4_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)		 1h17 FORMATE
ACETYLTRANSFERASE 1
(Escherichia
coli) 		5 / 12 LEU A 705
GLY A 643
ALA A 644
SER A 647
LEU A 648
 None
None
None
None
PG4  A9013 (-3.9A)
 1.06A 3nt1B-1h17A:
0.6		 3nt1B-1h17A:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 6 HIS A 104
HIS A 286
HIS A 105
ASP A  23
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
MN  A 401 (-2.0A)
 1.17A 3nvcA-5o25A:
undetectable		 3nvcA-5o25A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 6 HIS A 105
HIS A 104
HIS A 286
ASP A  23
 PG4  A 403 (-4.5A)
MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
MN  A 401 (-2.0A)
 0.82A 3nvcA-5o25A:
undetectable		 3nvcA-5o25A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 6 HIS A 286
HIS A 105
HIS A 104
ASP A  23
 PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
MN  A 402 (-3.5A)
MN  A 401 (-2.0A)
 1.08A 3nvcA-5o25A:
undetectable		 3nvcA-5o25A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 1ued P450 MONOOXYGENASE
(Amycolatopsis
orientalis) 		4 / 7 GLY A 245
GLY A 246
LEU A 164
PHE A 116
 PG4  A4502 ( 3.7A)
HEM  A1430 (-3.3A)
None
HEM  A1430 (-4.7A)
 0.60A 3o9mA-1uedA:
undetectable		 3o9mA-1uedA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_B_SAMB300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3duu IG-LIKE PROTEIN
(Mus
musculus) 		3 / 3 TYR B  97
ASP B 100
ASP B 101
 PG4  B 115 ( 4.5A)
KDO  B 114 (-4.1A)
None
 0.89A 3ou7B-3duuB:
undetectable		 3ou7B-3duuB:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PGH_A_FLPA701_1
(CYCLOOXYGENASE-2)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 VAL A 252
VAL A 277
LEU A 310
GLY A 285
ALA A 290
 None
None
None
PG4  A 403 (-3.5A)
None
 1.19A 3pghA-5o25A:
undetectable		 3pghA-5o25A:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PNE_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.37A 3pneA-3nkzA:
2.2
3pneB-3nkzA:
undetectable		 3pneA-3nkzA:
15.33
3pneB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PNF_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.38A 3pnfA-3nkzA:
undetectable
3pnfB-3nkzA:
undetectable		 3pnfA-3nkzA:
15.33
3pnfB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PRS_A_RITA1001_1
(ENDOTHIAPEPSIN)		 3tcs RACEMASE, PUTATIVE
(Roseobacter
denitrificans) 		5 / 10 ILE A 334
ALA A 339
THR A 232
ILE A 303
ILE A 265
 PG4  A 372 ( 4.9A)
None
None
None
None
 1.16A 3prsA-3tcsA:
undetectable		 3prsA-3tcsA:
20.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PRS_A_RITA1001_1
(ENDOTHIAPEPSIN)		 5hct ENDOTHIAPEPSIN
(Cryphonectria
parasitica) 		10 / 10 ILE A  10
ASP A  11
ALA A  16
ILE A  77
TYR A  79
LEU A 125
THR A 135
ILE A 217
THR A 223
ILE A 300
 None
None
None
None
61P  A 406 (-4.3A)
None
None
None
PG4  A 408 (-3.8A)
61P  A 406 (-4.0A)
 0.25A 3prsA-5hctA:
58.2		 3prsA-5hctA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PRS_A_RITA1001_2
(ENDOTHIAPEPSIN)		 5hct ENDOTHIAPEPSIN
(Cryphonectria
parasitica) 		10 / 12 ASP A  15
ASP A  33
ASP A  35
GLY A  37
ASP A 119
PHE A 194
ASP A 219
THR A 222
TYR A 226
ILE A 304
 PG4  A 408 (-3.7A)
61P  A 406 (-4.0A)
61P  A 406 (-2.7A)
61P  A 406 ( 4.0A)
61P  A 406 ( 4.9A)
None
61P  A 406 (-2.9A)
61P  A 406 ( 3.5A)
61P  A 406 (-4.0A)
None
 0.64A 3prsA-5hctA:
58.2		 3prsA-5hctA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PRS_A_RITA1001_2
(ENDOTHIAPEPSIN)		 5hct ENDOTHIAPEPSIN
(Cryphonectria
parasitica) 		11 / 12 ASP A  15
ASP A  33
ASP A  35
GLY A  37
GLY A  80
ASP A  81
PHE A 194
ASP A 219
THR A 222
TYR A 226
ILE A 304
 PG4  A 408 (-3.7A)
61P  A 406 (-4.0A)
61P  A 406 (-2.7A)
61P  A 406 ( 4.0A)
61P  A 406 (-4.1A)
61P  A 406 ( 2.8A)
None
61P  A 406 (-2.9A)
61P  A 406 ( 3.5A)
61P  A 406 (-4.0A)
None
 0.34A 3prsA-5hctA:
58.2		 3prsA-5hctA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PWW_A_ROCA1001_1
(ENDOTHIAPEPSIN)		 5hct ENDOTHIAPEPSIN
(Cryphonectria
parasitica) 		12 / 12 ILE A  10
ASP A  15
ASP A  33
ASP A  35
GLY A  80
PHE A 116
LEU A 125
PHE A 194
ILE A 217
THR A 222
TYR A 226
ILE A 304
 None
PG4  A 408 (-3.7A)
61P  A 406 (-4.0A)
61P  A 406 (-2.7A)
61P  A 406 (-4.1A)
61P  A 406 ( 4.7A)
None
None
None
61P  A 406 ( 3.5A)
61P  A 406 (-4.0A)
None
 0.48A 3pwwA-5hctA:
57.6		 3pwwA-5hctA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PWW_A_ROCA1001_1
(ENDOTHIAPEPSIN)		 5hct ENDOTHIAPEPSIN
(Cryphonectria
parasitica) 		6 / 12 ILE A  10
ASP A  15
ASP A  33
GLY A  82
PHE A 116
LEU A 125
 None
PG4  A 408 (-3.7A)
61P  A 406 (-4.0A)
None
61P  A 406 ( 4.7A)
None
 1.15A 3pwwA-5hctA:
57.6		 3pwwA-5hctA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PWW_A_ROCA1001_2
(ENDOTHIAPEPSIN)		 5hct ENDOTHIAPEPSIN
(Cryphonectria
parasitica) 		7 / 8 GLY A  37
SER A  38
ILE A  77
TYR A  79
SER A  83
ASP A 219
THR A 223
 61P  A 406 ( 4.0A)
None
None
61P  A 406 (-4.3A)
61P  A 406 (-3.0A)
61P  A 406 (-2.9A)
PG4  A 408 (-3.8A)
 0.27A 3pwwA-5hctA:
57.6		 3pwwA-5hctA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PWW_A_ROCA1001_2
(ENDOTHIAPEPSIN)		 5hct ENDOTHIAPEPSIN
(Cryphonectria
parasitica) 		6 / 8 SER A  38
ILE A  77
TYR A  79
ASP A  81
SER A  83
THR A 223
 None
None
61P  A 406 (-4.3A)
61P  A 406 ( 2.8A)
61P  A 406 (-3.0A)
PG4  A 408 (-3.8A)
 0.52A 3pwwA-5hctA:
57.6		 3pwwA-5hctA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q5P_A_TACA7101_1
(MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR)		 3lur PUTATIVE BACTERIAL
TRANSCRIPTION
REGULATION PROTEIN
(Staphylococcus
aureus) 		5 / 12 VAL A 105
ILE A  73
TYR A 137
TYR A  71
GLU A 135
 None
None
PG4  A 158 ( 3.8A)
None
None
 1.29A 3q5pA-3lurA:
10.2		 3q5pA-3lurA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q70_A_RITA2001_2
(CANDIDAPEPSIN-2)		 5hct ENDOTHIAPEPSIN
(Cryphonectria
parasitica) 		4 / 6 SER A  38
ILE A  77
TYR A  79
THR A 223
 None
None
61P  A 406 (-4.3A)
PG4  A 408 (-3.8A)
 0.23A 3q70A-5hctA:
11.2		 3q70A-5hctA:
26.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)		 2o08 BH1327 PROTEIN
(Bacillus
halodurans) 		5 / 12 LEU A  32
ALA A  43
LEU A 119
LEU A 118
ILE A 153
 PG4  A 503 (-4.7A)
None
None
None
None
 1.09A 3q95A-2o08A:
undetectable		 3q95A-2o08A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q9A_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.36A 3q9aA-3nkzA:
undetectable
3q9aB-3nkzA:
undetectable		 3q9aA-3nkzA:
15.33
3q9aB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R24_A_SAMA302_0
(2'-O-METHYL
TRANSFERASE)		 3qt4 CATHEPSIN-L-LIKE
MIDGUT CYSTEINE
PROTEINASE
(Tenebrio
molitor) 		5 / 12 ASN A 159
GLY A 260
SER A 124
GLY A 164
LEU A 262
 None
PG4  A 413 (-3.5A)
None
None
None
 1.18A 3r24A-3qt4A:
undetectable		 3r24A-3qt4A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 10 LEU A 159
LEU A 163
LEU A 226
ILE A 229
THR A 234
 None
PG4  A1399 (-4.8A)
HEM  A1400 (-4.4A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
 0.66A 3r9cA-2xkrA:
42.5		 3r9cA-2xkrA:
31.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 10 LEU A 159
LEU A 226
ILE A 229
THR A 234
VAL A 277
 None
HEM  A1400 (-4.4A)
PG4  A1399 ( 4.5A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
 0.67A 3r9cA-2xkrA:
42.5		 3r9cA-2xkrA:
31.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RLB_A_VIBA191_1
(THIT)		 4mes THIAMINE TRANSPORTER
THIT
(Lactococcus
lactis) 		6 / 10 TRP A  34
GLY A 129
TRP A 133
TYR A 146
VAL A 150
ASN A 151
 PG4  A 210 (-3.9A)
26G  A 203 (-3.3A)
26G  A 203 (-3.3A)
26G  A 203 (-4.2A)
26G  A 203 ( 4.5A)
26G  A 203 (-3.3A)
 1.01A 3rlbA-4mesA:
34.1		 3rlbA-4mesA:
94.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RLB_B_VIBB187_1
(THIT)		 4mes THIAMINE TRANSPORTER
THIT
(Lactococcus
lactis) 		5 / 12 ILE A  36
GLU A  38
GLU A  84
HIS A 125
TYR A 136
 PG4  A 210 (-4.3A)
26G  A 203 (-3.8A)
26G  A 203 (-2.9A)
26G  A 203 (-3.4A)
None
 1.36A 3rlbB-4mesA:
34.4		 3rlbB-4mesA:
94.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RLB_B_VIBB187_1
(THIT)		 4mes THIAMINE TRANSPORTER
THIT
(Lactococcus
lactis) 		11 / 12 ILE A  36
GLU A  38
GLU A  84
TYR A  85
TYR A 122
HIS A 125
GLY A 129
TRP A 133
TYR A 146
VAL A 150
ASN A 151
 PG4  A 210 (-4.3A)
26G  A 203 (-3.8A)
26G  A 203 (-2.9A)
26G  A 203 (-4.6A)
None
26G  A 203 (-3.4A)
26G  A 203 (-3.3A)
26G  A 203 (-3.3A)
26G  A 203 (-4.2A)
26G  A 203 ( 4.5A)
26G  A 203 (-3.3A)
 0.15A 3rlbB-4mesA:
34.4		 3rlbB-4mesA:
94.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RLB_B_VIBB187_1
(THIT)		 4mes THIAMINE TRANSPORTER
THIT
(Lactococcus
lactis) 		6 / 12 TRP A  34
GLY A 129
TRP A 133
TYR A 146
VAL A 150
ASN A 151
 PG4  A 210 (-3.9A)
26G  A 203 (-3.3A)
26G  A 203 (-3.3A)
26G  A 203 (-4.2A)
26G  A 203 ( 4.5A)
26G  A 203 (-3.3A)
 0.99A 3rlbB-4mesA:
34.4		 3rlbB-4mesA:
94.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQW_C_ACHC323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		 2haw MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE
(Bacillus
subtilis) 		4 / 8 ASN A 130
GLU A  93
TYR A  23
LEU A  26
 PG4  A6002 (-3.5A)
PG4  A6002 (-3.3A)
None
None
 1.00A 3rqwC-2hawA:
undetectable
3rqwD-2hawA:
undetectable		 3rqwC-2hawA:
19.66
3rqwD-2hawA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQW_I_ACHI323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		 2haw MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE
(Bacillus
subtilis) 		4 / 8 ASN A 130
GLU A  93
TYR A  23
LEU A  26
 PG4  A6002 (-3.5A)
PG4  A6002 (-3.3A)
None
None
 1.02A 3rqwI-2hawA:
undetectable
3rqwJ-2hawA:
undetectable		 3rqwI-2hawA:
19.66
3rqwJ-2hawA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQW_J_ACHJ323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		 2haw MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE
(Bacillus
subtilis) 		4 / 8 GLU A  93
TYR A  23
LEU A  26
ASN A 130
 PG4  A6002 (-3.3A)
None
None
PG4  A6002 (-3.5A)
 1.02A 3rqwF-2hawA:
undetectable
3rqwJ-2hawA:
undetectable		 3rqwF-2hawA:
19.66
3rqwJ-2hawA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S33_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.72A 3s33A-5o25A:
undetectable		 3s33A-5o25A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S38_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.72A 3s38A-5o25A:
undetectable		 3s38A-5o25A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S39_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.70A 3s39A-5o25A:
1.2		 3s39A-5o25A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3A_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.71A 3s3aA-5o25A:
undetectable		 3s3aA-5o25A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3B_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.72A 3s3bA-5o25A:
undetectable		 3s3bA-5o25A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3C_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.69A 3s3cA-5o25A:
undetectable		 3s3cA-5o25A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3D_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.69A 3s3dA-5o25A:
1.1		 3s3dA-5o25A:
19.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SU9_A_ACTA426_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 4r7u UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE
(Vibrio
cholerae) 		3 / 3 GLN A 109
GLU A 140
LYS A 145
 PG4  A 501 (-3.7A)
PG4  A 501 ( 4.9A)
PG4  A 501 (-2.6A)
 0.77A 3su9A-4r7uA:
66.8		 3su9A-4r7uA:
80.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_B_SUEB1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 3qt4 CATHEPSIN-L-LIKE
MIDGUT CYSTEINE
PROTEINASE
(Tenebrio
molitor) 		3 / 3 TYR A 297
LEU A 262
ARG A 295
 PG4  A 411 (-4.1A)
None
None
 0.80A 3sufB-3qt4A:
undetectable		 3sufB-3qt4A:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SVP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.39A 3svpA-3nkzA:
undetectable
3svpB-3nkzA:
undetectable		 3svpA-3nkzA:
15.33
3svpB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3S_A_9PLA1_1
(CYTOCHROME P450 2A13)		 3flb RIFR
(Amycolatopsis
mediterranei) 		5 / 9 PHE A  91
PHE A  36
PHE A 195
ALA A 235
LEU A  43
 None
None
None
PG4  A5798 (-3.4A)
None
 1.38A 3t3sA-3flbA:
0.0		 3t3sA-3flbA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3S_C_9PLC1_1
(CYTOCHROME P450 2A13)		 4jrf PUTATIVE CELL
ADHESION PROTEIN
(Bacteroides
ovatus) 		4 / 7 PHE A 277
ASN A 283
PHE A 282
THR A 487
 None
None
None
PG4  A 614 (-3.6A)
 0.97A 3t3sC-4jrfA:
undetectable		 3t3sC-4jrfA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3S_F_9PLF1_1
(CYTOCHROME P450 2A13)		 4jrf PUTATIVE CELL
ADHESION PROTEIN
(Bacteroides
ovatus) 		4 / 8 PHE A 277
ASN A 283
PHE A 282
THR A 487
 None
None
None
PG4  A 614 (-3.6A)
 0.89A 3t3sF-4jrfA:
undetectable		 3t3sF-4jrfA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7V_A_SAMA992_0
(METHYLORNITHINE
SYNTHASE PYLB)		 1ued P450 MONOOXYGENASE
(Amycolatopsis
orientalis) 		5 / 12 GLY A 245
GLY A 358
LEU A  68
VAL A 292
ALA A 294
 PG4  A4502 ( 3.7A)
HEM  A1430 ( 3.9A)
HEM  A1430 ( 4.9A)
HEM  A1430 (-4.4A)
None
 1.25A 3t7vA-1uedA:
undetectable		 3t7vA-1uedA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TGV_B_BEZB1_0
(HEME-BINDING PROTEIN
HUTZ)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		4 / 6 ARG A 210
PHE A 240
PRO A 230
LEU A 241
 PG4  A 358 (-3.7A)
PG4  A 358 (-4.5A)
PG4  A 358 (-4.3A)
None
 1.39A 3tgvB-2rauA:
undetectable		 3tgvB-2rauA:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TGV_C_BEZC1_0
(HEME-BINDING PROTEIN
HUTZ)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		4 / 5 ARG A 210
PHE A 240
PRO A 230
LEU A 241
 PG4  A 358 (-3.7A)
PG4  A 358 (-4.5A)
PG4  A 358 (-4.3A)
None
 1.42A 3tgvC-2rauA:
undetectable		 3tgvC-2rauA:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TGV_D_BEZD1_0
(HEME-BINDING PROTEIN
HUTZ)		 2rau PUTATIVE ESTERASE
(Sulfolobus
solfataricus) 		4 / 6 ARG A 210
PHE A 240
PRO A 230
LEU A 241
 PG4  A 358 (-3.7A)
PG4  A 358 (-4.5A)
PG4  A 358 (-4.3A)
None
 1.37A 3tgvD-2rauA:
undetectable		 3tgvD-2rauA:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TNE_A_RITA401_2
(SECRETED ASPARTIC
PROTEASE)		 5hct ENDOTHIAPEPSIN
(Cryphonectria
parasitica) 		4 / 6 SER A  38
TYR A  79
THR A 222
THR A 223
 None
61P  A 406 (-4.3A)
61P  A 406 ( 3.5A)
PG4  A 408 (-3.8A)
 0.31A 3tneA-5hctA:
36.5		 3tneA-5hctA:
26.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TNE_B_RITB401_2
(SECRETED ASPARTIC
PROTEASE)		 4r4g PUTATIVE LIPOPROTEIN
YCDA
(Bacillus
subtilis) 		4 / 7 SER A 179
ILE A 250
THR A 254
THR A 255
 None
None
None
PG4  A 402 (-4.2A)
 1.08A 3tneB-4r4gA:
undetectable		 3tneB-4r4gA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TNE_B_RITB401_2
(SECRETED ASPARTIC
PROTEASE)		 5hct ENDOTHIAPEPSIN
(Cryphonectria
parasitica) 		5 / 7 SER A  38
TYR A  79
THR A 222
THR A 223
TYR A 226
 None
61P  A 406 (-4.3A)
61P  A 406 ( 3.5A)
PG4  A 408 (-3.8A)
61P  A 406 (-4.0A)
 0.42A 3tneB-5hctA:
36.7		 3tneB-5hctA:
26.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TYE_B_YTZB902_1
(DIHYDROPTEROATE
SYNTHASE)		 5kf7 BIFUNCTIONAL PROTEIN
PUTA
(Sinorhizobium
meliloti) 		3 / 3 PHE A 708
LYS A 663
SER A 664
 PG4  A2005 (-3.7A)
None
None
 1.39A 3tyeB-5kf7A:
7.7		 3tyeB-5kf7A:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 4xpz RNA POLYMERASE II
SUBUNIT A C-TERMINAL
DOMAIN PHOSPHATASE
(Schizosaccharomy
ces
pombe) 		4 / 7 PRO A 355
LEU A 376
LEU A 377
ILE A 321
 PG4  A 603 (-4.5A)
None
None
None
 0.94A 3u5jA-4xpzA:
undetectable		 3u5jA-4xpzA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5K_A_08JA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 4xpz RNA POLYMERASE II
SUBUNIT A C-TERMINAL
DOMAIN PHOSPHATASE
(Schizosaccharomy
ces
pombe) 		4 / 8 PRO A 355
LEU A 376
LEU A 377
ILE A 321
 PG4  A 603 (-4.5A)
None
None
None
 0.85A 3u5kA-4xpzA:
undetectable		 3u5kA-4xpzA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5K_B_08JB2_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 4xpz RNA POLYMERASE II
SUBUNIT A C-TERMINAL
DOMAIN PHOSPHATASE
(Schizosaccharomy
ces
pombe) 		4 / 7 PRO A 355
LEU A 376
LEU A 377
ILE A 321
 PG4  A 603 (-4.5A)
None
None
None
 0.98A 3u5kB-4xpzA:
undetectable		 3u5kB-4xpzA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5K_C_08JC3_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 4xpz RNA POLYMERASE II
SUBUNIT A C-TERMINAL
DOMAIN PHOSPHATASE
(Schizosaccharomy
ces
pombe) 		4 / 8 PRO A 355
LEU A 376
LEU A 377
ILE A 321
 PG4  A 603 (-4.5A)
None
None
None
 0.94A 3u5kC-4xpzA:
undetectable		 3u5kC-4xpzA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5K_D_08JD4_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 4xpz RNA POLYMERASE II
SUBUNIT A C-TERMINAL
DOMAIN PHOSPHATASE
(Schizosaccharomy
ces
pombe) 		4 / 8 PRO A 355
LEU A 376
LEU A 377
ILE A 321
 PG4  A 603 (-4.5A)
None
None
None
 0.93A 3u5kD-4xpzA:
undetectable		 3u5kD-4xpzA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFU_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.36A 3ufuA-3nkzA:
undetectable
3ufuB-3nkzA:
undetectable		 3ufuA-3nkzA:
15.33
3ufuB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFV_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.35A 3ufvA-3nkzA:
undetectable
3ufvB-3nkzA:
undetectable		 3ufvA-3nkzA:
15.33
3ufvB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V4T_C_ACTC502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3ejn SUSD HOMOLOG
(Bacteroides
fragilis) 		3 / 3 PRO A 126
ASP A 144
GLU A 142
 None
PG4  A   3 (-3.4A)
PG4  A   3 (-3.8A)
 0.78A 3v4tC-3ejnA:
undetectable		 3v4tC-3ejnA:
22.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VRM_A_VD3A502_1
(VITAMIN D(3)
25-HYDROXYLASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 MET A  74
ILE A  76
LEU A 159
LEU A 226
ILE A 229
 PG4  A1399 ( 4.4A)
HEM  A1400 (-4.1A)
None
HEM  A1400 (-4.4A)
PG4  A1399 ( 4.5A)
 0.93A 3vrmA-2xkrA:
45.1		 3vrmA-2xkrA:
36.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_D_SAMD401_1
(MNMC2)		 3et5 OUTER MEMBRANE
PROTEIN P4, NADP
PHOSPHATASE
(Haemophilus
influenzae) 		4 / 5 ASP A 181
ASP A 138
ASN A  72
GLU A  67
 MG  A 255 (-2.6A)
None
None
PG4  A 257 (-3.4A)
 1.40A 3vywD-3et5A:
2.8		 3vywD-3et5A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W1W_A_CHDA1504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2y27 PHENYLACETATE-COENZY
ME A LIGASE
(Burkholderia
cenocepacia) 		4 / 4 PRO A  51
LEU A  30
ILE A 299
ARG A 300
 None
None
None
PG4  A 507 ( 4.5A)
 1.47A 3w1wA-2y27A:
3.1		 3w1wA-2y27A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W1W_A_CHDA1504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ejk DTDP SUGAR ISOMERASE
(Desulfovibrio
alaskensis) 		4 / 4 PRO A  18
LEU A  17
ILE A  15
ARG A 113
 None
None
PG4  A 177 (-4.3A)
None
 0.90A 3w1wA-3ejkA:
undetectable		 3w1wA-3ejkA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_A_W9TA1002_1
(HEMOLYTIC LECTIN
CEL-III)		 4x9l HEAT SHOCK PROTEIN
(Oryza
sativa) 		3 / 3 ASP A 163
GLU A 167
GLY A 166
 None
PG4  A 302 (-2.9A)
None
 0.52A 3w9tA-4x9lA:
undetectable		 3w9tA-4x9lA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRI_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 226
GLY A 230
THR A 234
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
None
 0.53A 3wriA-2xkrA:
45.2		 3wriA-2xkrA:
28.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRI_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 226
GLY A 230
THR A 234
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
None
 0.53A 3wriB-2xkrA:
45.3		 3wriB-2xkrA:
28.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRK_D_CAMD502_0
(CAMPHOR
5-MONOOXYGENASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 226
GLY A 230
THR A 234
VAL A 277
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
 0.90A 3wrkD-2xkrA:
43.6		 3wrkD-2xkrA:
28.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WRK_D_CAMD502_0
(CAMPHOR
5-MONOOXYGENASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 226
GLY A 230
THR A 234
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
None
 0.42A 3wrkD-2xkrA:
43.6		 3wrkD-2xkrA:
28.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WXO_A_NIZA802_1
(CATALASE-PEROXIDASE)		 3wig DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1
(Homo
sapiens) 		4 / 8 LEU A 102
ILE A 112
GLY A 214
ILE A 217
 None
None
PG4  A 404 (-3.4A)
CHU  A 403 (-4.0A)
 0.86A 3wxoA-3wigA:
undetectable		 3wxoA-3wigA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AGA_A_ACTA1131_0
(LYSOZYME C)		 5m11 IMMUNOREACTIVE 84KD
ANTIGEN PG93
(Porphyromonas
gingivalis) 		3 / 3 ASN A 617
ASP A 557
ASN A 559
 PG4  A 815 ( 4.8A)
None
None
 0.77A 4agaA-5m11A:
undetectable		 4agaA-5m11A:
9.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		 4i4k UNCHARACTERIZED
PROTEIN SGCJ
(Streptomyces
globisporus) 		4 / 7 TRP A 118
ASN A 134
TYR A 132
LEU A  49
 PG4  A 202 (-4.8A)
PG4  A 202 (-3.4A)
PG4  A 202 (-4.5A)
PG4  A 202 ( 4.6A)
 1.35A 4awuA-4i4kA:
undetectable		 4awuA-4i4kA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZS_A_SAMA1475_0
(METHYLTRANSFERASE
WBDD)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		5 / 12 GLY A  12
ASN A 145
ARG A 139
LEU A 131
VAL A 133
 PG4  A 302 (-4.4A)
None
None
None
None
 1.28A 4azsA-4mqbA:
undetectable		 4azsA-4mqbA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZW_A_SAMA1451_0
(WBDD)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		5 / 12 GLY A  12
ASN A 145
ARG A 139
LEU A 131
VAL A 133
 PG4  A 302 (-4.4A)
None
None
None
None
 1.24A 4azwA-4mqbA:
undetectable		 4azwA-4mqbA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B7N_A_ZMRA601_2
(NEURAMINIDASE)		 1w2u ENDOGLUCANASE
(Humicola
grisea) 		3 / 3 ARG A 171
ARG A 217
TRP A  89
 None
PG4  A 501 (-3.0A)
None
 1.34A 4b7nA-1w2uA:
undetectable		 4b7nA-1w2uA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B7Q_A_ZMRA601_2
(NEURAMINIDASE)		 3ij3 CYTOSOL
AMINOPEPTIDASE
(Coxiella
burnetii) 		3 / 3 ARG A 271
ARG A 273
ILE A 216
 PG4  A 472 ( 3.5A)
None
None
 0.89A 4b7qA-3ij3A:
undetectable		 4b7qA-3ij3A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 HIS A 104
HIS A 286
GLY A 285
ASP A 154
ASP A  23
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-3.5A)
MN  A 402 (-2.8A)
MN  A 401 (-2.0A)
 1.28A 4bz6C-5o25A:
undetectable		 4bz6C-5o25A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C1D_B_X8ZB350_1
(BETA-LACTAMASE CLASS
B VIM-2)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		5 / 10 HIS A  56
HIS A  58
ASP A  60
HIS A 132
HIS A 192
 None
PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
None
ZN  A1211 (-3.3A)
 0.79A 4c1dB-2xf4A:
4.9		 4c1dB-2xf4A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		5 / 11 HIS A  56
HIS A  58
ASP A  60
HIS A 132
HIS A 192
 None
PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
None
ZN  A1211 (-3.3A)
 0.81A 4c1fA-2xf4A:
19.6
4c1fB-2xf4A:
6.3		 4c1fA-2xf4A:
23.36
4c1fB-2xf4A:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		5 / 9 HIS A  56
HIS A  58
ASP A  60
HIS A 132
HIS A 192
 None
PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
None
ZN  A1211 (-3.3A)
 0.77A 4c1hA-2xf4A:
20.2		 4c1hA-2xf4A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		5 / 9 HIS A  58
ASP A  60
HIS A  56
GLY A 159
HIS A 192
 PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
None
None
ZN  A1211 (-3.3A)
 1.06A 4c1hA-2xf4A:
20.2		 4c1hA-2xf4A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9K_B_CAMB424_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 9 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.85A 4c9kB-2xkrA:
44.2		 4c9kB-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9L_A_CAMA1419_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.70A 4c9lA-2xkrA:
44.5		 4c9lA-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9L_B_CAMB1419_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.74A 4c9lB-2xkrA:
44.3		 4c9lB-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9N_A_CAMA1419_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 8 LEU A 226
GLY A 230
THR A 234
VAL A 277
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
 0.87A 4c9nA-2xkrA:
44.2		 4c9nA-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9O_A_CAMA423_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.74A 4c9oA-2xkrA:
44.3		 4c9oA-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9O_B_CAMB423_0
(CYTOCHROME P450)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.74A 4c9oB-2xkrA:
44.1		 4c9oB-2xkrA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CAM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.39A 4camA-3nkzA:
4.1
4camB-3nkzA:
undetectable		 4camA-3nkzA:
15.33
4camB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CAP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.33A 4capA-3nkzA:
4.1
4capB-3nkzA:
undetectable		 4capA-3nkzA:
15.33
4capB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CAQ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.38A 4caqA-3nkzA:
undetectable
4caqB-3nkzA:
undetectable		 4caqA-3nkzA:
15.33
4caqB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_C_ZMRC1470_2
(NEURAMINIDASE)		 1w2u ENDOGLUCANASE
(Humicola
grisea) 		3 / 3 ARG A 171
ARG A 217
TRP A  89
 None
PG4  A 501 (-3.0A)
None
 1.41A 4cpzC-1w2uA:
undetectable		 4cpzC-1w2uA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_E_ZMRE1471_2
(NEURAMINIDASE)		 1w2u ENDOGLUCANASE
(Humicola
grisea) 		3 / 3 ARG A 171
ARG A 217
TRP A  89
 None
PG4  A 501 (-3.0A)
None
 1.36A 4cpzE-1w2uA:
undetectable		 4cpzE-1w2uA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_F_ZMRF1470_2
(NEURAMINIDASE)		 1w2u ENDOGLUCANASE
(Humicola
grisea) 		3 / 3 ARG A 171
ARG A 217
TRP A  89
 None
PG4  A 501 (-3.0A)
None
 1.39A 4cpzF-1w2uA:
undetectable		 4cpzF-1w2uA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_H_ZMRH1470_2
(NEURAMINIDASE)		 1w2u ENDOGLUCANASE
(Humicola
grisea) 		3 / 3 ARG A 171
ARG A 217
TRP A  89
 None
PG4  A 501 (-3.0A)
None
 1.36A 4cpzH-1w2uA:
undetectable		 4cpzH-1w2uA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.38A 4ctpA-3nkzA:
undetectable
4ctpB-3nkzA:
undetectable		 4ctpA-3nkzA:
15.33
4ctpB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.40A 4ctrA-3nkzA:
undetectable
4ctrB-3nkzA:
undetectable		 4ctrA-3nkzA:
15.33
4ctrB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTT_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.36A 4cttA-3nkzA:
undetectable
4cttB-3nkzA:
undetectable		 4cttA-3nkzA:
15.33
4cttB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTU_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.34A 4ctuA-3nkzA:
undetectable
4ctuB-3nkzA:
undetectable		 4ctuA-3nkzA:
15.33
4ctuB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTV_A_H4BA1718_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.34A 4ctvA-3nkzA:
undetectable
4ctvB-3nkzA:
undetectable		 4ctvA-3nkzA:
15.33
4ctvB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTW_A_H4BA1718_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.34A 4ctwA-3nkzA:
undetectable
4ctwB-3nkzA:
undetectable		 4ctwA-3nkzA:
15.33
4ctwB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTW_B_H4BB1720_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.34A 4ctwA-3nkzA:
undetectable
4ctwB-3nkzA:
undetectable		 4ctwA-3nkzA:
15.33
4ctwB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTX_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.36A 4ctxA-3nkzA:
undetectable
4ctxB-3nkzA:
undetectable		 4ctxA-3nkzA:
15.33
4ctxB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D1N_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.35A 4d1nA-3nkzA:
undetectable
4d1nB-3nkzA:
undetectable		 4d1nA-3nkzA:
15.33
4d1nB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D1Y_A_RBFA1176_1
(PUTATIVE PROTEASE I)		 4q7q LIPOLYTIC PROTEIN
G-D-S-L FAMILY
(Chitinophaga
pinensis) 		4 / 8 ASN A  97
TRP A 100
ASN A 169
TRP A  99
 PG4  A 301 ( 4.3A)
None
None
None
 1.26A 4d1yA-4q7qA:
4.1
4d1yB-4q7qA:
3.7		 4d1yA-4q7qA:
21.30
4d1yB-4q7qA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D1Y_A_RBFA1176_1
(PUTATIVE PROTEASE I)		 4q7q LIPOLYTIC PROTEIN
G-D-S-L FAMILY
(Chitinophaga
pinensis) 		4 / 8 ASN A 169
TRP A  99
ASN A  97
TRP A 100
 None
None
PG4  A 301 ( 4.3A)
None
 1.27A 4d1yA-4q7qA:
4.1
4d1yB-4q7qA:
3.7		 4d1yA-4q7qA:
21.30
4d1yB-4q7qA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D2Z_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.35A 4d2zA-3nkzA:
4.0
4d2zB-3nkzA:
undetectable		 4d2zA-3nkzA:
15.33
4d2zB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D30_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.37A 4d30A-3nkzA:
undetectable
4d30B-3nkzA:
undetectable		 4d30A-3nkzA:
15.33
4d30B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D32_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.37A 4d32A-3nkzA:
undetectable
4d32B-3nkzA:
undetectable		 4d32A-3nkzA:
15.33
4d32B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D3B_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.35A 4d3bA-3nkzA:
2.3
4d3bB-3nkzA:
undetectable		 4d3bA-3nkzA:
15.33
4d3bB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D3B_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.35A 4d3bA-3nkzA:
2.3
4d3bB-3nkzA:
undetectable		 4d3bA-3nkzA:
15.33
4d3bB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D7B_B_TCWB1126_1
(TRANSTHYRETIN)		 2w8d PROCESSED GLYCEROL
PHOSPHATE
LIPOTEICHOIC ACID
SYNTHASE 2
(Bacillus
subtilis) 		4 / 7 LYS A 363
THR A 338
ALA A 340
THR A 404
 PG4  A1637 (-2.8A)
None
None
None
 0.94A 4d7bA-2w8dA:
undetectable		 4d7bA-2w8dA:
14.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DJF_B_C2FB300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 3llc PUTATIVE HYDROLASE
(Agrobacterium
vitis) 		5 / 12 ASP A 147
ILE A 202
LEU A 231
GLY A 116
SER A 113
 None
EDO  A 271 ( 4.7A)
None
None
PG4  A 277 (-2.7A)
 1.33A 4djfB-3llcA:
undetectable		 4djfB-3llcA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DV1_A_SRYA1601_1
(16S RRNA
RIBOSOMAL PROTEIN
S12)		 3bjq PHAGE-RELATED
PROTEIN
(Bordetella
bronchiseptica) 		3 / 3 LYS A  32
LYS A  31
PRO A  35
 None
PG4  A 316 (-2.9A)
None
 1.12A 4dv1L-3bjqA:
undetectable		 4dv1L-3bjqA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DX7_A_DM2A1106_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 3vcx GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE
DOMAIN
(Rhodopseudomonas
palustris) 		5 / 11 PHE A  28
PHE A  75
ASN A  74
LEU A  73
ARG A  86
 PG4  A 201 ( 4.6A)
PG4  A 201 (-4.2A)
None
None
PG4  A 201 (-3.5A)
 1.09A 4dx7A-3vcxA:
undetectable		 4dx7A-3vcxA:
9.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1G_A_LNLA701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2ooc HISTIDINE
PHOSPHOTRANSFERASE
(Caulobacter
vibrioides) 		4 / 5 ARG A  76
VAL A  87
LEU A  84
SER A  83
 None
None
PG4  A 113 ( 4.7A)
GOL  A 114 (-3.8A)
 1.34A 4e1gA-2oocA:
undetectable		 4e1gA-2oocA:
10.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1G_B_LNLB701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		4 / 7 VAL A 230
VAL A 234
LEU A 237
VAL A 210
 None
None
PG4  A 602 (-4.7A)
None
 1.06A 4e1gB-5dqfA:
5.0		 4e1gB-5dqfA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EB6_C_VLBC503_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA CHAIN)		 2y24 XYLANASE
(Dickeya
chrysanthemi) 		5 / 12 TYR A 286
THR A 235
PRO A 236
ILE A 269
VAL A 352
 None
None
None
PG4  A1414 (-3.8A)
None
 0.98A 4eb6B-2y24A:
undetectable
4eb6C-2y24A:
2.7		 4eb6B-2y24A:
21.71
4eb6C-2y24A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJG_C_NCTC501_1
(CYTOCHROME P450 2A13)		 1ued P450 MONOOXYGENASE
(Amycolatopsis
orientalis) 		4 / 7 PHE A 116
ALA A 241
LEU A 165
LEU A 218
 HEM  A1430 (-4.7A)
PG4  A4502 (-4.3A)
None
None
 0.92A 4ejgC-1uedA:
28.9		 4ejgC-1uedA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJJ_B_NCTB501_1
(CYTOCHROME P450 2A6)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		4 / 7 PHE A 343
VAL A 291
GLY A 303
THR A 475
 PG4  A1597 (-3.7A)
None
None
None
 1.00A 4ejjB-2v6oA:
undetectable		 4ejjB-2v6oA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EM2_A_SALA501_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		 5xaw SODIUM CHANNEL
SUBUNIT BETA-4
(Homo
sapiens) 		4 / 5 TYR A 129
LEU A  51
LEU A 121
ARG A 100
 None
None
None
PG4  A 202 (-4.0A)
 1.36A 4em2A-5xawA:
undetectable		 4em2A-5xawA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ENH_A_FVXA602_1
(CHOLESTEROL
24-HYDROXYLASE)		 2veo LIPASE A
(Moesziomyces
antarcticus) 		5 / 12 PHE A  88
ILE A 126
ILE A 381
ALA A 187
GLY A 185
 None
None
None
None
PG4  A1443 ( 4.3A)
 1.15A 4enhA-2veoA:
undetectable		 4enhA-2veoA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EUX_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.41A 4euxA-3nkzA:
undetectable
4euxB-3nkzA:
2.3		 4euxA-3nkzA:
15.33
4euxB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		4 / 8 HIS A  58
ASP A  60
HIS A 132
HIS A 192
 PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
None
ZN  A1211 (-3.3A)
 0.79A 4exsB-2xf4A:
18.5		 4exsB-2xf4A:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F4D_A_CHDA506_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ejk DTDP SUGAR ISOMERASE
(Desulfovibrio
alaskensis) 		4 / 4 PRO A  18
LEU A  17
ILE A  15
ARG A 113
 None
None
PG4  A 177 (-4.3A)
None
 1.08A 4f4dA-3ejkA:
undetectable		 4f4dA-3ejkA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FE1_B_PQNB840_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 9 MET A  65
SER A  64
ILE A 349
ALA A 371
LEU A  24
 None
None
None
None
PG4  A 529 (-3.8A)
 1.41A 4fe1B-2pyxA:
0.0		 4fe1B-2pyxA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVW_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.33A 4fvwA-3nkzA:
undetectable
4fvwB-3nkzA:
undetectable		 4fvwA-3nkzA:
15.33
4fvwB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVX_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.33A 4fvxA-3nkzA:
undetectable
4fvxB-3nkzA:
undetectable		 4fvxA-3nkzA:
15.33
4fvxB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVZ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.33A 4fvzA-3nkzA:
undetectable
4fvzB-3nkzA:
undetectable		 4fvzA-3nkzA:
15.33
4fvzB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FW0_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.38A 4fw0A-3nkzA:
undetectable
4fw0B-3nkzA:
undetectable		 4fw0A-3nkzA:
15.33
4fw0B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G5J_A_0WMA1102_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4jrf PUTATIVE CELL
ADHESION PROTEIN
(Bacteroides
ovatus) 		4 / 7 HIS A 446
ILE A 445
TYR A 468
HIS A 447
 PG4  A 617 ( 3.6A)
None
None
None
 1.20A 4g5jA-4jrfA:
undetectable		 4g5jA-4jrfA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GQE_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.35A 4gqeA-3nkzA:
undetectable
4gqeB-3nkzA:
undetectable		 4gqeA-3nkzA:
15.33
4gqeB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HVC_B_HFGB1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 4nv4 SIGNAL PEPTIDASE I
(Bacillus
anthracis) 		5 / 12 LEU A 110
HIS A 157
PHE A 126
THR A 132
GLY A 159
 None
PG4  A 201 (-3.9A)
None
None
None
 1.31A 4hvcB-4nv4A:
undetectable		 4hvcB-4nv4A:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 ASP A  80
ARG A 267
THR A 124
 MN  A 401 ( 2.6A)
PG4  A 403 ( 3.6A)
None
 0.78A 4i13A-5o25A:
undetectable		 4i13A-5o25A:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J5J_B_478B401_2
(PROTEASE)		 2v0j BIFUNCTIONAL PROTEIN
GLMU
(Haemophilus
influenzae) 		5 / 10 ALA A 419
VAL A 403
GLY A 422
ILE A 438
VAL A 431
 None
None
PG4  A1456 ( 3.7A)
PG4  A1456 ( 4.4A)
None
 1.03A 4j5jB-2v0jA:
undetectable		 4j5jB-2v0jA:
13.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		 4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B
(Cellvibrio
japonicus) 		4 / 8 LEU A 566
PHE A 533
TYR A 537
PRO A 562
 PG4  A1833 (-4.2A)
None
None
EDO  A1831 (-4.0A)
 1.21A 4j7uD-4b9yA:
2.0		 4j7uD-4b9yA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSF_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.44A 4jsfA-3nkzA:
undetectable
4jsfB-3nkzA:
undetectable		 4jsfA-3nkzA:
15.33
4jsfB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSG_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.34A 4jsgA-3nkzA:
undetectable
4jsgB-3nkzA:
undetectable		 4jsgA-3nkzA:
15.33
4jsgB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSG_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.46A 4jsgA-3nkzA:
undetectable
4jsgB-3nkzA:
undetectable		 4jsgA-3nkzA:
15.33
4jsgB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSI_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.41A 4jsiA-3nkzA:
undetectable
4jsiB-3nkzA:
undetectable		 4jsiA-3nkzA:
15.33
4jsiB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSJ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.34A 4jsjA-3nkzA:
undetectable
4jsjB-3nkzA:
undetectable		 4jsjA-3nkzA:
15.33
4jsjB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSJ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.32A 4jsjA-3nkzA:
undetectable
4jsjB-3nkzA:
undetectable		 4jsjA-3nkzA:
15.33
4jsjB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JX1_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 10 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.65A 4jx1B-2xkrA:
46.0		 4jx1B-2xkrA:
28.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5D_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.37A 4k5dA-3nkzA:
undetectable
4k5dB-3nkzA:
undetectable		 4k5dA-3nkzA:
15.33
4k5dB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5E_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.33A 4k5eA-3nkzA:
undetectable
4k5eB-3nkzA:
undetectable		 4k5eA-3nkzA:
15.33
4k5eB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5F_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.33A 4k5fA-3nkzA:
4.1
4k5fB-3nkzA:
undetectable		 4k5fA-3nkzA:
15.33
4k5fB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCK_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.35A 4kckA-3nkzA:
undetectable
4kckB-3nkzA:
undetectable		 4kckA-3nkzA:
15.33
4kckB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCM_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.37A 4kcmA-3nkzA:
undetectable
4kcmB-3nkzA:
undetectable		 4kcmA-3nkzA:
15.33
4kcmB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KFJ_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 2veo LIPASE A
(Moesziomyces
antarcticus) 		5 / 12 ILE A 150
ALA A 148
ILE A 301
PRO A 300
LEU A 305
 PG4  A1443 ( 4.1A)
None
None
None
None
 1.07A 4kfjB-2veoA:
undetectable		 4kfjB-2veoA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L8F_B_MTXB301_1
(GAMMA-GLUTAMYL
HYDROLASE)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 11 GLY A 285
GLY A 284
GLY A 283
HIS A  19
HIS A 105
 PG4  A 403 (-3.5A)
PG4  A 403 (-4.8A)
None
MN  A 401 (-3.5A)
PG4  A 403 (-4.5A)
 0.99A 4l8fB-5o25A:
2.6		 4l8fB-5o25A:
24.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LB0_A_ACTA401_0
(UNCHARACTERIZED
PROTEIN)		 5x5x FD CHAIN OF
ANTI-OSTEOCALCIN
ANTIBODY KTM219
(Mus
musculus) 		5 / 9 SER H  94
GLY H 101
SER H 102
GLY H  99
THR H  96
 None
PG4  H 305 ( 4.7A)
None
PG4  H 305 (-3.6A)
None
 1.35A 4lb0A-5x5xH:
undetectable		 4lb0A-5x5xH:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LRH_A_FOLA301_1
(FOLATE RECEPTOR
ALPHA)		 2j6i FORMATE
DEHYDROGENASE
([Candida]
boidinii) 		3 / 3 ASP A 345
TRP A  33
SER A 118
 None
PG4  A1354 (-3.7A)
None
 0.99A 4lrhA-2j6iA:
undetectable		 4lrhA-2j6iA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_A_TMQA202_2
(DIHYDROFOLATE
REDUCTASE)		 3ppb PUTATIVE TETR FAMILY
TRANSCRIPTION
REGULATOR
(Shewanella
loihica) 		3 / 3 TRP A  95
GLN A  87
THR A  94
 EDO  A 210 (-4.3A)
None
PG4  A 218 ( 4.9A)
 0.93A 4m2xA-3ppbA:
undetectable		 4m2xA-3ppbA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M51_A_BEZA501_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		 5u81 ACID CERAMIDASE
ISOFORM B
(Heterocephalus
glaber) 		4 / 6 ILE A 269
ILE A 294
SER A 301
LEU A 275
 PG4  A 418 ( 3.8A)
None
None
None
 0.99A 4m51A-5u81A:
undetectable		 4m51A-5u81A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M93_B_ACTB303_0
(S25-26 FAB (IGG1K)
HEAVY CHAIN
S25-26 FAB (IGG1K)
LIGHT CHAIN)		 4dqd EXTRACELLULAR
LIGAND-BINDING
RECEPTOR
(Rhodopseudomonas
palustris) 		4 / 5 GLY A 221
ALA A  39
PHE A 251
GLU A 250
 None
GOL  A 402 ( 3.8A)
None
PG4  A 405 ( 3.9A)
 1.04A 4m93B-4dqdA:
undetectable
4m93C-4dqdA:
undetectable		 4m93B-4dqdA:
20.78
4m93C-4dqdA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MBS_B_MRVB1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		 5ddb MENIN
(Homo
sapiens) 		4 / 5 TYR A 361
LEU A 413
THR A 344
MET A 322
 PG4  A 604 ( 4.6A)
None
None
59Q  A 601 (-4.4A)
 1.48A 4mbsB-5ddbA:
undetectable		 4mbsB-5ddbA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MME_B_29QB603_1
(TRANSPORTER)		 4ke4 HYDROXYCINNAMOYL-COA
:SHIKIMATE
HYDROXYCINNAMOYL
TRANSFERASE
(Sorghum
bicolor) 		5 / 9 TYR A 411
ALA A 415
GLY A 372
PHE A 376
GLY A 413
 PG4  A 501 ( 4.7A)
None
None
None
None
 1.28A 4mmeB-4ke4A:
undetectable		 4mmeB-4ke4A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NDN_A_SAMA407_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 3fc3 RESTRICTION
ENDONUCLEASE HPY99I
(Helicobacter
pylori) 		4 / 8 GLU A  52
ASP A  55
ILE A  54
ILE A  67
 None
PG4  A 400 (-4.4A)
PG4  A 400 (-4.2A)
None
 0.88A 4ndnB-3fc3A:
undetectable		 4ndnB-3fc3A:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKV_A_AERA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		4 / 5 TYR A 451
LEU A 456
GLU A 125
VAL A 221
 None
PG4  A1596 (-4.3A)
None
None
 1.29A 4nkvA-2v6oA:
undetectable		 4nkvA-2v6oA:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1Z_B_MXMB807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 5kf7 BIFUNCTIONAL PROTEIN
PUTA
(Sinorhizobium
meliloti) 		6 / 12 LEU A 946
ARG A 848
ILE A 833
PHE A 708
ALA A 846
LEU A 847
 None
None
None
PG4  A2005 (-3.7A)
None
None
 1.47A 4o1zB-5kf7A:
0.5		 4o1zB-5kf7A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		 3pea ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 GLY A  62
ALA A  63
GLY A 108
GLY A 109
PHE A 231
 None
PG4  A 260 (-3.8A)
None
PG4  A 260 ( 4.3A)
None
 0.84A 4o33A-3peaA:
undetectable		 4o33A-3peaA:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)		 3mcq THIAMINE-MONOPHOSPHA
TE KINASE
(Methylobacillus
flagellatus) 		5 / 7 GLY A 256
ALA A 165
ASP A 258
LEU A 185
ASP A 159
 None
None
PG4  A 327 (-3.1A)
PG4  A 327 ( 4.8A)
None
 1.27A 4ogrE-3mcqA:
undetectable		 4ogrE-3mcqA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLA_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		 1h17 FORMATE
ACETYLTRANSFERASE 1
(Escherichia
coli) 		4 / 5 TYR A  36
LYS A 351
LEU A  43
GLU A 298
 None
None
PG4  A9011 (-4.5A)
None
 1.50A 4olaA-1h17A:
1.1		 4olaA-1h17A:
21.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OT2_A_ACTA605_0
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		3 / 3 LYS A 194
LYS A 221
ALA A 290
 CL  A 617 ( 4.0A)
CL  A 617 (-3.4A)
PG4  A 602 (-3.4A)
 0.65A 4ot2A-5dqfA:
54.7		 4ot2A-5dqfA:
99.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 ASP A  80
ARG A 267
THR A 124
 MN  A 401 ( 2.6A)
PG4  A 403 ( 3.6A)
None
 0.78A 4p3rA-5o25A:
undetectable		 4p3rA-5o25A:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PFJ_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 4i4k UNCHARACTERIZED
PROTEIN SGCJ
(Streptomyces
globisporus) 		4 / 7 THR A  75
HIS A  63
LEU A  49
ASN A 134
 None
CIT  A 201 (-3.6A)
PG4  A 202 ( 4.6A)
PG4  A 202 (-3.4A)
 1.02A 4pfjA-4i4kA:
undetectable		 4pfjA-4i4kA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PO0_A_NPSA602_1
(SERUM ALBUMIN)		 2veo LIPASE A
(Moesziomyces
antarcticus) 		4 / 8 ALA A 218
GLY A 237
LEU A 241
GLU A 155
 PG4  A1443 (-4.4A)
PG4  A1443 (-3.6A)
PG4  A1443 ( 4.9A)
None
 0.83A 4po0A-2veoA:
undetectable		 4po0A-2veoA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		5 / 12 GLY A  71
PHE A  70
HIS A  67
ASP A 248
GLY A 247
 None
PG4  A 605 (-4.6A)
None
PG4  A 605 (-4.5A)
None
 1.28A 4qa0A-5dqfA:
undetectable		 4qa0A-5dqfA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 HIS A 104
HIS A 286
GLY A 285
ASP A 154
ASP A  23
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-3.5A)
MN  A 402 (-2.8A)
MN  A 401 (-2.0A)
 1.33A 4qa0A-5o25A:
undetectable		 4qa0A-5o25A:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 HIS A 104
HIS A 286
GLY A 285
ASP A 154
ASP A  23
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-3.5A)
MN  A 402 (-2.8A)
MN  A 401 (-2.0A)
 1.29A 4qa2A-5o25A:
undetectable		 4qa2A-5o25A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QB9_E_PARE500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 2veo LIPASE A
(Moesziomyces
antarcticus) 		5 / 12 PHE A 233
LEU A 367
GLU A 181
ASP A 122
GLY A 213
 PG4  A1443 (-4.7A)
None
None
None
None
 1.35A 4qb9E-2veoA:
1.1		 4qb9E-2veoA:
23.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QOG_A_ML1A302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2xuz IRON-UPTAKE
SYSTEM-BINDING
PROTEIN
(Bacillus
subtilis) 		4 / 8 PHE A  67
PHE A  63
GLY A  82
ILE A  92
 PG4  A1302 (-3.7A)
None
None
None
 0.93A 4qogA-2xuzA:
3.5
4qogB-2xuzA:
2.2		 4qogA-2xuzA:
21.69
4qogB-2xuzA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7I_A_STIA1001_2
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		4 / 5 LEU A 456
VAL A 112
TYR A 429
ARG A 217
 PG4  A1596 (-4.3A)
None
PG4  A1596 (-4.8A)
None
 0.99A 4r7iA-2v6oA:
undetectable		 4r7iA-2v6oA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RMJ_A_NCAA402_0
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 7 ILE A  76
LEU A  72
LEU A 163
ILE A 229
 HEM  A1400 (-4.1A)
None
PG4  A1399 (-4.8A)
PG4  A1399 ( 4.5A)
 0.79A 4rmjA-2xkrA:
undetectable		 4rmjA-2xkrA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRW_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1h17 FORMATE
ACETYLTRANSFERASE 1
(Escherichia
coli) 		5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
 None
None
None
None
PG4  A9013 (-3.9A)
 1.08A 4rrwA-1h17A:
0.0		 4rrwA-1h17A:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRW_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1h17 FORMATE
ACETYLTRANSFERASE 1
(Escherichia
coli) 		5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
 None
None
None
None
PG4  A9013 (-3.9A)
 1.11A 4rrwB-1h17A:
0.0		 4rrwB-1h17A:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRW_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1h17 FORMATE
ACETYLTRANSFERASE 1
(Escherichia
coli) 		5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
 None
None
None
None
PG4  A9013 (-3.9A)
 1.09A 4rrwC-1h17A:
undetectable		 4rrwC-1h17A:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRZ_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1h17 FORMATE
ACETYLTRANSFERASE 1
(Escherichia
coli) 		5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
 None
None
None
None
PG4  A9013 (-3.9A)
 1.08A 4rrzA-1h17A:
0.0		 4rrzA-1h17A:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRZ_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1h17 FORMATE
ACETYLTRANSFERASE 1
(Escherichia
coli) 		5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
 None
None
None
None
PG4  A9013 (-3.9A)
 1.11A 4rrzB-1h17A:
0.0		 4rrzB-1h17A:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRZ_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1h17 FORMATE
ACETYLTRANSFERASE 1
(Escherichia
coli) 		5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
 None
None
None
None
PG4  A9013 (-3.9A)
 1.09A 4rrzC-1h17A:
undetectable		 4rrzC-1h17A:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCH_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.39A 4uchA-3nkzA:
undetectable
4uchB-3nkzA:
undetectable		 4uchA-3nkzA:
15.33
4uchB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UGZ_B_H4BB760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.44A 4ugzA-3nkzA:
undetectable
4ugzB-3nkzA:
undetectable		 4ugzA-3nkzA:
15.33
4ugzB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH1_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.31A 4uh1A-3nkzA:
undetectable
4uh1B-3nkzA:
undetectable		 4uh1A-3nkzA:
15.33
4uh1B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH2_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.46A 4uh2A-3nkzA:
undetectable
4uh2B-3nkzA:
undetectable		 4uh2A-3nkzA:
15.33
4uh2B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH3_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.44A 4uh3A-3nkzA:
undetectable
4uh3B-3nkzA:
undetectable		 4uh3A-3nkzA:
15.33
4uh3B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH4_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.41A 4uh4A-3nkzA:
undetectable
4uh4B-3nkzA:
undetectable		 4uh4A-3nkzA:
15.33
4uh4B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH6_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.48A 4uh6A-3nkzA:
undetectable
4uh6B-3nkzA:
2.2		 4uh6A-3nkzA:
15.33
4uh6B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPM_A_H4BA760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.35A 4upmA-3nkzA:
undetectable
4upmB-3nkzA:
undetectable		 4upmA-3nkzA:
15.33
4upmB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPN_A_H4BA760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.30A 4upnA-3nkzA:
undetectable
4upnB-3nkzA:
2.3		 4upnA-3nkzA:
15.33
4upnB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.31A 4uppA-3nkzA:
undetectable
4uppB-3nkzA:
undetectable		 4uppA-3nkzA:
15.33
4uppB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V2Y_C_EF2C151_1
(CEREBLON ISOFORM 4)		 3os7 GALACTOSE
MUTAROTASE-LIKE
PROTEIN
(Clostridium
acetobutylicum) 		4 / 7 ASN A 310
PRO A 309
PHE A 320
TYR A 284
 None
PG4  A 400 ( 4.9A)
None
PG4  A 344 (-4.4A)
 1.45A 4v2yC-3os7A:
undetectable		 4v2yC-3os7A:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V2Z_C_Y70C151_1
(CEREBLON ISOFORM 4)		 3os7 GALACTOSE
MUTAROTASE-LIKE
PROTEIN
(Clostridium
acetobutylicum) 		4 / 8 ASN A 310
PRO A 309
PHE A 320
TYR A 284
 None
PG4  A 400 ( 4.9A)
None
PG4  A 344 (-4.4A)
 1.43A 4v2zC-3os7A:
undetectable		 4v2zC-3os7A:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V3Y_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.34A 4v3yA-3nkzA:
undetectable
4v3yB-3nkzA:
undetectable		 4v3yA-3nkzA:
15.33
4v3yB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)		 3up9 PUTATIVE
UNCHARACTERIZED
PROTEIN
(Actinomyces
odontolyticus) 		4 / 6 SER A 131
LEU A 132
ASP A 133
LEU A 222
 None
None
PG4  A 303 (-4.6A)
None
 0.99A 4wozA-3up9A:
undetectable
4wozB-3up9A:
undetectable		 4wozA-3up9A:
23.27
4wozB-3up9A:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XT8_A_TMQA302_1
(RV2671)		 5hx0 UNCHARACTERIZED
PROTEIN DFER_1899
(Dyadobacter
fermentans) 		5 / 12 ASN A 261
GLY A 308
ALA A 286
TYR A 365
GLU A 262
 PG4  A 401 ( 4.3A)
None
None
ACT  A 402 (-4.5A)
ACT  A 402 ( 4.6A)
 1.23A 4xt8A-5hx0A:
undetectable		 4xt8A-5hx0A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XTA_B_DIFB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		4 / 8 ILE A  65
LEU A 225
LEU A 228
MET A  74
 None
None
None
PG4  A1399 ( 4.4A)
 0.96A 4xtaB-2xkrA:
undetectable		 4xtaB-2xkrA:
20.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y4D_A_CFFA411_1
(ENDOTHIAPEPSIN)		 5hct ENDOTHIAPEPSIN
(Cryphonectria
parasitica) 		6 / 6 LEU A  13
ASP A  15
LEU A 224
PHE A 280
ILE A 283
PHE A 291
 PG4  A 408 ( 4.9A)
PG4  A 408 (-3.7A)
PG4  A 408 ( 4.3A)
PG4  A 408 (-4.5A)
PG4  A 408 (-4.8A)
PG4  A 408 ( 4.0A)
 0.05A 4y4dA-5hctA:
58.6		 4y4dA-5hctA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y8W_A_STRA604_1
(CYTOCHROME P450
21-HYDROXYLASE)		 5u81 ACID CERAMIDASE
ISOFORM B
(Heterocephalus
glaber) 		5 / 12 LEU A 275
ILE A 249
GLY A 250
VAL A 256
LEU A 221
 None
None
None
PG4  A 418 ( 3.9A)
None
 1.05A 4y8wA-5u81A:
undetectable		 4y8wA-5u81A:
10.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y8W_B_STRB603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 5u81 ACID CERAMIDASE
ISOFORM B
(Heterocephalus
glaber) 		5 / 12 LEU A 275
ILE A 249
GLY A 250
VAL A 256
LEU A 221
 None
None
None
PG4  A 418 ( 3.9A)
None
 1.11A 4y8wB-5u81A:
undetectable		 4y8wB-5u81A:
10.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y8W_C_STRC603_2
(CYTOCHROME P450
21-HYDROXYLASE)		 3ie5 PHENOLIC OXIDATIVE
COUPLING PROTEIN
HYP-1
(Hypericum
perforatum) 		3 / 3 LEU A  69
VAL A  91
ASP A  90
 None
PG4  A 502 ( 4.7A)
None
 0.52A 4y8wC-3ie5A:
undetectable		 4y8wC-3ie5A:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YMG_B_SAMB1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A 158
TYR A 157
SER A 244
ALA A 137
TYR A 254
 211  A 280 (-3.5A)
PG4  A 274 ( 4.7A)
PG4  A 273 ( 4.6A)
None
None
 1.06A 4ymgB-3rq0A:
undetectable		 4ymgB-3rq0A:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YV5_A_SVRA205_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 3rza TRIPEPTIDASE
(Staphylococcus
aureus) 		4 / 7 ASN A 359
LYS A 356
TYR A  98
TYR A 100
 None
PG4  A 416 (-2.8A)
None
PEG  A 409 (-3.7A)
 0.72A 4yv5A-3rzaA:
undetectable		 4yv5A-3rzaA:
13.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YV5_B_SVRB207_2
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 3rza TRIPEPTIDASE
(Staphylococcus
aureus) 		4 / 7 ASN A 359
LYS A 356
TYR A  98
TYR A 100
 None
PG4  A 416 (-2.8A)
None
PEG  A 409 (-3.7A)
 0.79A 4yv5B-3rzaA:
undetectable		 4yv5B-3rzaA:
13.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z3O_F_MFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE
E-SITE DNA)		 2y4r 4-AMINO-4-DEOXYCHORI
SMATE LYASE
(Pseudomonas
aeruginosa) 		4 / 5 ARG A  85
ARG A  52
GLY A  50
GLU A  49
 None
None
None
PG4  A1272 (-3.6A)
 1.19A 4z3oA-2y4rA:
undetectable
4z3oB-2y4rA:
undetectable		 4z3oA-2y4rA:
18.56
4z3oB-2y4rA:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z69_A_DIFA1006_1
(SERUM ALBUMIN)		 4h41 PUTATIVE
ALPHA-L-FUCOSIDASE
(Bacteroides
thetaiotaomicron) 		4 / 7 ILE A 169
LEU A 146
GLY A 207
LYS A 208
 None
None
None
PG4  A 409 (-2.9A)
 1.02A 4z69A-4h41A:
undetectable		 4z69A-4h41A:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z69_A_DIFA1007_1
(SERUM ALBUMIN)		 4o06 PROBABLE 26S
PROTEASOME
REGULATORY SUBUNIT
P27
(Saccharomyces
cerevisiae) 		5 / 9 LEU A 213
LEU A 186
ILE A 160
SER A 200
ALA A 149
 None
None
None
PG4  A 301 (-2.9A)
None
 1.30A 4z69A-4o06A:
undetectable		 4z69A-4o06A:
10.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_A_DIFA1007_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		5 / 9 LEU A 218
LEU A 259
ILE A 263
SER A 286
ALA A 290
 None
PG4  A 602 ( 4.5A)
None
PG4  A 602 (-3.9A)
PG4  A 602 (-3.4A)
 0.56A 4z69A-5dqfA:
38.4		 4z69A-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_A_DIFA1007_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		5 / 9 LYS A 198
LEU A 259
ILE A 263
SER A 286
ALA A 290
 PG4  A 602 ( 4.3A)
PG4  A 602 ( 4.5A)
None
PG4  A 602 (-3.9A)
PG4  A 602 (-3.4A)
 0.94A 4z69A-5dqfA:
38.4		 4z69A-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_A_DIFA1007_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		5 / 9 LYS A 198
TRP A 213
LEU A 259
ILE A 263
ALA A 290
 PG4  A 602 ( 4.3A)
None
PG4  A 602 ( 4.5A)
None
PG4  A 602 (-3.4A)
 1.17A 4z69A-5dqfA:
38.4		 4z69A-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_A_DIFA1007_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		5 / 9 TRP A 213
ARG A 217
LEU A 218
LEU A 259
ILE A 263
 None
CL  A 617 ( 4.6A)
None
PG4  A 602 ( 4.5A)
None
 1.14A 4z69A-5dqfA:
38.4		 4z69A-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_A_DIFA1007_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		5 / 9 TRP A 213
LEU A 218
LEU A 259
ILE A 263
ALA A 290
 None
None
PG4  A 602 ( 4.5A)
None
PG4  A 602 (-3.4A)
 0.79A 4z69A-5dqfA:
38.4		 4z69A-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_I_DIFI1006_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		7 / 10 LYS A 198
PHE A 222
ARG A 256
LEU A 259
ILE A 263
SER A 286
ALA A 290
 PG4  A 602 ( 4.3A)
None
PG4  A 602 (-4.1A)
PG4  A 602 ( 4.5A)
None
PG4  A 602 (-3.9A)
PG4  A 602 (-3.4A)
 0.88A 4z69I-5dqfA:
38.4		 4z69I-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_I_DIFI1006_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		6 / 10 LYS A 198
TRP A 213
PHE A 222
LEU A 259
ILE A 263
ALA A 290
 PG4  A 602 ( 4.3A)
None
None
PG4  A 602 ( 4.5A)
None
PG4  A 602 (-3.4A)
 1.09A 4z69I-5dqfA:
38.4		 4z69I-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Z69_I_DIFI1006_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		5 / 10 TRP A 213
ARG A 217
PHE A 222
LEU A 259
ILE A 263
 None
CL  A 617 ( 4.6A)
None
PG4  A 602 ( 4.5A)
None
 1.18A 4z69I-5dqfA:
38.4		 4z69I-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZBR_A_ACTA608_0
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		3 / 3 LYS A 431
ARG A 435
HIS A 451
 PG4  A 604 (-2.9A)
None
None
 0.75A 4zbrA-5dqfA:
55.4		 4zbrA-5dqfA:
99.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZDY_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		5 / 12 GLY A  39
ILE A 142
GLY A  14
THR A  17
THR A  35
 None
None
PG4  A 302 (-3.5A)
PG4  A 302 (-3.8A)
None
 1.24A 4zdyA-4mqbA:
undetectable		 4zdyA-4mqbA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE2_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4xwl EXOGLUCANASE S
(Clostridium
cellulovorans) 		4 / 5 ALA A 237
TYR A 233
HIS A   7
PRO A   0
 PG4  A 704 ( 4.0A)
None
None
PG4  A 704 (-4.3A)
 1.29A 4ze2A-4xwlA:
1.5		 4ze2A-4xwlA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZO1_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		 4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE
(Chromobacterium
violaceum) 		5 / 12 ALA A  74
ALA A 310
ARG A  79
LEU A  78
PHE A 132
 None
None
None
None
PG4  A 504 ( 3.8A)
 1.19A 4zo1X-4f0sA:
undetectable		 4zo1X-4f0sA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_A_SORA1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 3ie5 PHENOLIC OXIDATIVE
COUPLING PROTEIN
HYP-1
(Hypericum
perforatum) 		4 / 7 ILE A  44
LYS A  71
GLY A  50
GLY A  49
 None
PG4  A 508 (-2.8A)
None
None
 0.79A 5a06A-3ie5A:
undetectable		 5a06A-3ie5A:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_C_SORC1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 3ie5 PHENOLIC OXIDATIVE
COUPLING PROTEIN
HYP-1
(Hypericum
perforatum) 		4 / 7 ILE A  44
LYS A  71
GLY A  50
GLY A  49
 None
PG4  A 508 (-2.8A)
None
None
 0.81A 5a06C-3ie5A:
undetectable		 5a06C-3ie5A:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_D_SORD1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 3ie5 PHENOLIC OXIDATIVE
COUPLING PROTEIN
HYP-1
(Hypericum
perforatum) 		4 / 6 LYS A  71
GLY A  50
GLY A  49
ASP A  48
 PG4  A 508 (-2.8A)
None
None
None
 0.69A 5a06D-3ie5A:
undetectable		 5a06D-3ie5A:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_E_SORE1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 3ie5 PHENOLIC OXIDATIVE
COUPLING PROTEIN
HYP-1
(Hypericum
perforatum) 		4 / 7 ILE A  44
LYS A  71
GLY A  50
GLY A  49
 None
PG4  A 508 (-2.8A)
None
None
 0.80A 5a06E-3ie5A:
undetectable		 5a06E-3ie5A:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_F_SORF1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 3ie5 PHENOLIC OXIDATIVE
COUPLING PROTEIN
HYP-1
(Hypericum
perforatum) 		4 / 7 ILE A  44
LYS A  71
GLY A  50
GLY A  49
 None
PG4  A 508 (-2.8A)
None
None
 0.78A 5a06F-3ie5A:
undetectable		 5a06F-3ie5A:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		4 / 8 HIS A  58
ASP A  60
HIS A 132
HIS A 192
 PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
None
ZN  A1211 (-3.3A)
 0.77A 5a5zA-2xf4A:
5.0		 5a5zA-2xf4A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD5_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.42A 5ad5A-3nkzA:
undetectable
5ad5B-3nkzA:
undetectable		 5ad5A-3nkzA:
15.33
5ad5B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGK_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.34A 5agkA-3nkzA:
undetectable
5agkB-3nkzA:
2.6		 5agkA-3nkzA:
15.33
5agkB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGL_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.34A 5aglA-3nkzA:
undetectable
5aglB-3nkzA:
undetectable		 5aglA-3nkzA:
15.33
5aglB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.34A 5agmA-3nkzA:
undetectable
5agmB-3nkzA:
undetectable		 5agmA-3nkzA:
15.33
5agmB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.36A 5agoA-3nkzA:
undetectable
5agoB-3nkzA:
undetectable		 5agoA-3nkzA:
15.33
5agoB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGP_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.49A 5agpA-3nkzA:
undetectable
5agpB-3nkzA:
undetectable		 5agpA-3nkzA:
15.33
5agpB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AYA_A_X8ZA307_1
(METALLO-BETA-LACTAMA
SE)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		6 / 11 HIS A  56
HIS A  58
ASP A  60
HIS A  61
HIS A 132
HIS A 192
 None
PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
ZN  A1211 (-3.3A)
None
ZN  A1211 (-3.3A)
 0.48A 5ayaA-2xf4A:
17.5		 5ayaA-2xf4A:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BMV_C_VLBC507_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA-1B
CHAIN)		 5hmn AAC3-I
(uncultured
bacterium) 		4 / 6 ASP A  86
PRO A 130
TYR A 135
LEU A 134
 PG4  A 202 (-3.7A)
COA  A 201 (-3.9A)
COA  A 201 (-4.8A)
COA  A 201 (-3.9A)
 1.15A 5bmvB-5hmnA:
undetectable		 5bmvB-5hmnA:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2y4r 4-AMINO-4-DEOXYCHORI
SMATE LYASE
(Pseudomonas
aeruginosa) 		4 / 6 ARG A  85
ARG A  52
GLY A  50
GLU A  49
 None
None
None
PG4  A1272 (-3.6A)
 0.91A 5btcA-2y4rA:
undetectable
5btcC-2y4rA:
undetectable
5btcD-2y4rA:
undetectable		 5btcA-2y4rA:
22.59
5btcC-2y4rA:
22.59
5btcD-2y4rA:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTC_G_CPFG102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2y4r 4-AMINO-4-DEOXYCHORI
SMATE LYASE
(Pseudomonas
aeruginosa) 		4 / 6 ARG A  52
GLY A  50
GLU A  49
ARG A  85
 None
None
PG4  A1272 (-3.6A)
None
 0.91A 5btcA-2y4rA:
undetectable
5btcB-2y4rA:
undetectable
5btcC-2y4rA:
undetectable		 5btcA-2y4rA:
22.59
5btcB-2y4rA:
23.81
5btcC-2y4rA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CP4_A_CAMA422_0
(CYTOCHROME P450CAM)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 9 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.85A 5cp4A-2xkrA:
44.7		 5cp4A-2xkrA:
28.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5DBY_A_ACTA617_0
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		3 / 3 TRP A 213
ARG A 217
LEU A 237
 None
CL  A 617 ( 4.6A)
PG4  A 602 (-4.7A)
 0.16A 5dbyA-5dqfA:
54.7		 5dbyA-5dqfA:
99.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DXE_A_ESTA1000_1
(ESTROGEN RECEPTOR)		 2r44 UNCHARACTERIZED
PROTEIN
(Cytophaga
hutchinsonii) 		4 / 8 GLU A 189
LEU A 184
HIS A 180
LEU A 181
 None
PG4  A 342 (-4.2A)
None
PG4  A 342 ( 4.1A)
 1.11A 5dxeA-2r44A:
undetectable		 5dxeA-2r44A:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_4_BEZ4801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 4gl0 LMO0810 PROTEIN
(Listeria
monocytogenes) 		4 / 5 LEU A  50
PHE A 281
ILE A  51
ILE A  39
 None
None
PG4  A 502 ( 4.3A)
None
 1.00A 5dzk4-4gl0A:
undetectable
5dzkg-4gl0A:
undetectable
5dzkm-4gl0A:
undetectable
5dzkn-4gl0A:
undetectable		 5dzk4-4gl0A:
2.53
5dzkg-4gl0A:
22.52
5dzkm-4gl0A:
22.12
5dzkn-4gl0A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 2hv2 HYPOTHETICAL PROTEIN
(Enterococcus
faecalis) 		5 / 12 GLU A 394
LEU A 264
TYR A 136
GLY A 258
ALA A 260
 None
PG4  A 801 ( 4.5A)
PG4  A 801 (-4.8A)
None
None
 1.18A 5e3iA-2hv2A:
undetectable		 5e3iA-2hv2A:
25.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2r44 UNCHARACTERIZED
PROTEIN
(Cytophaga
hutchinsonii) 		5 / 12 ILE A 296
ALA A 265
LYS A 290
THR A 241
ILE A 321
 None
None
PG4  A 338 ( 2.5A)
None
None
 1.06A 5e8qA-2r44A:
undetectable		 5e8qA-2r44A:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2r44 UNCHARACTERIZED
PROTEIN
(Cytophaga
hutchinsonii) 		5 / 12 ILE A 296
ALA A 265
LYS A 290
THR A 241
ILE A 321
 None
None
PG4  A 338 ( 2.5A)
None
None
 1.13A 5e8qB-2r44A:
undetectable		 5e8qB-2r44A:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EAJ_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2r44 UNCHARACTERIZED
PROTEIN
(Cytophaga
hutchinsonii) 		5 / 12 ILE A 296
ALA A 265
LYS A 290
THR A 241
ILE A 321
 None
None
PG4  A 338 ( 2.5A)
None
None
 1.10A 5eajB-2r44A:
undetectable		 5eajB-2r44A:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 HIS A 105
GLY A 285
ASP A  80
HIS A 104
ASP A  25
 PG4  A 403 (-4.5A)
PG4  A 403 (-3.5A)
MN  A 401 ( 2.6A)
MN  A 402 (-3.5A)
MN  A 402 (-3.1A)
 1.27A 5eeiA-5o25A:
undetectable		 5eeiA-5o25A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 HIS A 105
GLY A 285
ASP A  80
HIS A 104
ASP A  25
 PG4  A 403 (-4.5A)
PG4  A 403 (-3.5A)
MN  A 401 ( 2.6A)
MN  A 402 (-3.5A)
MN  A 402 (-3.1A)
 1.26A 5eeiB-5o25A:
undetectable		 5eeiB-5o25A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEU_Q_TRPQ101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5eeuP-2v6oA:
undetectable
5eeuQ-2v6oA:
undetectable		 5eeuP-2v6oA:
8.02
5eeuQ-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEU_S_TRPS101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.24A 5eeuR-2v6oA:
undetectable
5eeuS-2v6oA:
undetectable		 5eeuR-2v6oA:
8.02
5eeuS-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEU_T_TRPT101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5eeuS-2v6oA:
undetectable
5eeuT-2v6oA:
undetectable		 5eeuS-2v6oA:
8.02
5eeuT-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEU_V_TRPV101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.23A 5eeuU-2v6oA:
undetectable
5eeuV-2v6oA:
undetectable		 5eeuU-2v6oA:
8.02
5eeuV-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEV_Q_TRPQ101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5eevP-2v6oA:
undetectable
5eevQ-2v6oA:
undetectable		 5eevP-2v6oA:
8.02
5eevQ-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEV_S_TRPS101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.24A 5eevR-2v6oA:
undetectable
5eevS-2v6oA:
undetectable		 5eevR-2v6oA:
8.02
5eevS-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEV_T_TRPT101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5eevS-2v6oA:
undetectable
5eevT-2v6oA:
undetectable		 5eevS-2v6oA:
8.02
5eevT-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEV_V_TRPV101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.23A 5eevU-2v6oA:
undetectable
5eevV-2v6oA:
undetectable		 5eevU-2v6oA:
8.02
5eevV-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEW_Q_TRPQ101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5eewP-2v6oA:
undetectable
5eewQ-2v6oA:
undetectable		 5eewP-2v6oA:
8.02
5eewQ-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEW_S_TRPS101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.24A 5eewR-2v6oA:
undetectable
5eewS-2v6oA:
undetectable		 5eewR-2v6oA:
8.02
5eewS-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEW_T_TRPT101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5eewS-2v6oA:
undetectable
5eewT-2v6oA:
undetectable		 5eewS-2v6oA:
8.02
5eewT-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEW_V_TRPV101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.23A 5eewU-2v6oA:
undetectable
5eewV-2v6oA:
undetectable		 5eewU-2v6oA:
8.02
5eewV-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEX_Q_TRPQ101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5eexP-2v6oA:
undetectable
5eexQ-2v6oA:
undetectable		 5eexP-2v6oA:
8.02
5eexQ-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEX_S_TRPS101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.24A 5eexR-2v6oA:
undetectable
5eexS-2v6oA:
undetectable		 5eexR-2v6oA:
8.02
5eexS-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEX_T_TRPT101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5eexS-2v6oA:
undetectable
5eexT-2v6oA:
undetectable		 5eexS-2v6oA:
8.02
5eexT-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEX_V_TRPV101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.23A 5eexU-2v6oA:
undetectable
5eexV-2v6oA:
undetectable		 5eexU-2v6oA:
8.02
5eexV-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEY_Q_TRPQ101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5eeyP-2v6oA:
undetectable
5eeyQ-2v6oA:
undetectable		 5eeyP-2v6oA:
8.02
5eeyQ-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEY_S_TRPS101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.24A 5eeyR-2v6oA:
undetectable
5eeyS-2v6oA:
undetectable		 5eeyR-2v6oA:
8.02
5eeyS-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEY_T_TRPT101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5eeyS-2v6oA:
undetectable
5eeyT-2v6oA:
undetectable		 5eeyS-2v6oA:
8.02
5eeyT-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEY_V_TRPV101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.23A 5eeyU-2v6oA:
undetectable
5eeyV-2v6oA:
undetectable		 5eeyU-2v6oA:
8.02
5eeyV-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEZ_Q_TRPQ101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5eezP-2v6oA:
undetectable
5eezQ-2v6oA:
undetectable		 5eezP-2v6oA:
8.02
5eezQ-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEZ_S_TRPS101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.24A 5eezR-2v6oA:
undetectable
5eezS-2v6oA:
undetectable		 5eezR-2v6oA:
8.02
5eezS-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEZ_T_TRPT101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5eezS-2v6oA:
undetectable
5eezT-2v6oA:
undetectable		 5eezS-2v6oA:
8.02
5eezT-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEZ_V_TRPV101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.23A 5eezU-2v6oA:
undetectable
5eezV-2v6oA:
undetectable		 5eezU-2v6oA:
8.02
5eezV-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF0_Q_TRPQ101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5ef0P-2v6oA:
undetectable
5ef0Q-2v6oA:
undetectable		 5ef0P-2v6oA:
8.02
5ef0Q-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF0_S_TRPS101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.24A 5ef0R-2v6oA:
undetectable
5ef0S-2v6oA:
undetectable		 5ef0R-2v6oA:
8.02
5ef0S-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF0_T_TRPT101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5ef0S-2v6oA:
undetectable
5ef0T-2v6oA:
undetectable		 5ef0S-2v6oA:
8.02
5ef0T-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF0_V_TRPV101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.23A 5ef0U-2v6oA:
undetectable
5ef0V-2v6oA:
undetectable		 5ef0U-2v6oA:
8.02
5ef0V-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF1_Q_TRPQ101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5ef1P-2v6oA:
undetectable
5ef1Q-2v6oA:
undetectable		 5ef1P-2v6oA:
8.02
5ef1Q-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF1_S_TRPS101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5ef1R-2v6oA:
undetectable
5ef1S-2v6oA:
undetectable		 5ef1R-2v6oA:
8.02
5ef1S-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF1_T_TRPT101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5ef1S-2v6oA:
undetectable
5ef1T-2v6oA:
undetectable		 5ef1S-2v6oA:
8.02
5ef1T-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF1_V_TRPV101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.23A 5ef1U-2v6oA:
undetectable
5ef1V-2v6oA:
undetectable		 5ef1U-2v6oA:
8.02
5ef1V-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF2_Q_TRPQ101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.26A 5ef2P-2v6oA:
undetectable
5ef2Q-2v6oA:
undetectable		 5ef2P-2v6oA:
8.02
5ef2Q-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF2_S_TRPS101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5ef2R-2v6oA:
undetectable
5ef2S-2v6oA:
undetectable		 5ef2R-2v6oA:
8.02
5ef2S-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF2_T_TRPT101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5ef2S-2v6oA:
undetectable
5ef2T-2v6oA:
undetectable		 5ef2S-2v6oA:
8.02
5ef2T-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF2_V_TRPV101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.23A 5ef2U-2v6oA:
undetectable
5ef2V-2v6oA:
undetectable		 5ef2U-2v6oA:
8.02
5ef2V-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF3_Q_TRPQ101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5ef3P-2v6oA:
undetectable
5ef3Q-2v6oA:
undetectable		 5ef3P-2v6oA:
8.02
5ef3Q-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF3_S_TRPS101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.24A 5ef3R-2v6oA:
undetectable
5ef3S-2v6oA:
undetectable		 5ef3R-2v6oA:
8.02
5ef3S-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF3_T_TRPT101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.25A 5ef3S-2v6oA:
undetectable
5ef3T-2v6oA:
undetectable		 5ef3S-2v6oA:
8.02
5ef3T-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF3_V_TRPV101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		5 / 10 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.23A 5ef3U-2v6oA:
undetectable
5ef3V-2v6oA:
undetectable		 5ef3U-2v6oA:
8.02
5ef3V-2v6oA:
8.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESH_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3h41 NLP/P60 FAMILY
PROTEIN
(Bacillus
cereus) 		4 / 5 TRP A  41
LEU A 127
PRO A 123
LEU A  88
 None
None
PG4  A   3 ( 4.5A)
None
 1.10A 5eshA-3h41A:
undetectable		 5eshA-3h41A:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESK_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		5 / 12 GLY A  39
ILE A 142
GLY A  14
THR A  17
THR A  35
 None
None
PG4  A 302 (-3.5A)
PG4  A 302 (-3.8A)
None
 1.17A 5eskA-4mqbA:
undetectable		 5eskA-4mqbA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESL_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		5 / 12 GLY A  39
ILE A 142
GLY A  14
THR A  17
THR A  35
 None
None
PG4  A 302 (-3.5A)
PG4  A 302 (-3.8A)
None
 1.24A 5eslA-4mqbA:
undetectable		 5eslA-4mqbA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FLC_C_RAPC999_1
(SERINE/THREONINE-PRO
TEIN KINASE MTOR
FKBP)		 3fdh SUSD HOMOLOG
(Bacteroides
thetaiotaomicron) 		4 / 8 GLY A 329
THR A  64
TYR A 456
PHE A 459
 None
None
None
PG4  A   1 (-4.6A)
 0.90A 5flcB-3fdhA:
5.4		 5flcB-3fdhA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FLC_G_RAPG999_1
(SERINE/THREONINE-PRO
TEIN KINASE MTOR
FKBP)		 3fdh SUSD HOMOLOG
(Bacteroides
thetaiotaomicron) 		4 / 8 GLY A 329
THR A  64
TYR A 456
PHE A 459
 None
None
None
PG4  A   1 (-4.6A)
 0.89A 5flcF-3fdhA:
2.4		 5flcF-3fdhA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVT_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.48A 5fvtA-3nkzA:
undetectable
5fvtB-3nkzA:
undetectable		 5fvtA-3nkzA:
15.33
5fvtB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVW_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.45A 5fvwA-3nkzA:
undetectable
5fvwB-3nkzA:
undetectable		 5fvwA-3nkzA:
15.33
5fvwB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVX_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.46A 5fvxA-3nkzA:
undetectable
5fvxB-3nkzA:
2.3		 5fvxA-3nkzA:
15.33
5fvxB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FW0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.37A 5fw0A-3nkzA:
undetectable
5fw0B-3nkzA:
undetectable		 5fw0A-3nkzA:
15.33
5fw0B-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G0N_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.43A 5g0nA-3nkzA:
undetectable
5g0nB-3nkzA:
undetectable		 5g0nA-3nkzA:
15.33
5g0nB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G0O_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.37A 5g0oA-3nkzA:
3.6
5g0oB-3nkzA:
undetectable		 5g0oA-3nkzA:
15.33
5g0oB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H8T_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 3ppb PUTATIVE TETR FAMILY
TRANSCRIPTION
REGULATOR
(Shewanella
loihica) 		5 / 12 PHE A 187
LEU A  81
ALA A  85
MET A 124
ILE A 135
 PG4  A 216 (-4.7A)
None
PG4  A 216 ( 4.1A)
None
None
 1.12A 5h8tA-3ppbA:
undetectable		 5h8tA-3ppbA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HBS_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 3ppb PUTATIVE TETR FAMILY
TRANSCRIPTION
REGULATOR
(Shewanella
loihica) 		5 / 12 PHE A 187
LEU A  81
ALA A  85
MET A 124
ILE A 135
 PG4  A 216 (-4.7A)
None
PG4  A 216 ( 4.1A)
None
None
 1.12A 5hbsA-3ppbA:
undetectable		 5hbsA-3ppbA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 5w7l N,N'-DIACETYLBACILLI
OSAMINYL-1-PHOSPHATE
TRANSFERASE
(Campylobacter
concisus) 		4 / 7 ILE A 136
GLY A 135
ASP A 169
PHE A 166
 PG4  A 305 (-4.4A)
None
None
None
 0.78A 5hieA-5w7lA:
undetectable		 5hieA-5w7lA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIK_A_SAMA301_0
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 3et5 OUTER MEMBRANE
PROTEIN P4, NADP
PHOSPHATASE
(Haemophilus
influenzae) 		5 / 12 GLY A  77
ASN A  82
SER A  73
ASP A  66
ARG A 126
 None
None
PG4  A 257 (-4.9A)
WO4  A 256 ( 3.7A)
None
 1.09A 5hikA-3et5A:
2.9		 5hikA-3et5A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HRQ_E_IPHE101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		4 / 7 ILE A  74
LEU A  24
ALA A  27
HIS A 183
 None
PG4  A 529 (-3.8A)
None
None
 0.91A 5hrqE-2pyxA:
undetectable
5hrqF-2pyxA:
undetectable
5hrqJ-2pyxA:
undetectable		 5hrqE-2pyxA:
4.19
5hrqF-2pyxA:
5.37
5hrqJ-2pyxA:
5.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I8F_A_ML1A210_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		 3ie5 PHENOLIC OXIDATIVE
COUPLING PROTEIN
HYP-1
(Hypericum
perforatum) 		7 / 12 ARG A  27
VAL A  38
HIS A  63
LEU A  65
VAL A  91
TYR A 101
TYR A 120
 PG4  A 502 (-4.6A)
None
None
None
PG4  A 502 ( 4.7A)
None
PG4  A 502 (-4.8A)
 1.31A 5i8fA-3ie5A:
26.8		 5i8fA-3ie5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I8F_A_ML1A210_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		 3ie5 PHENOLIC OXIDATIVE
COUPLING PROTEIN
HYP-1
(Hypericum
perforatum) 		9 / 12 GLN A  35
VAL A  38
PHE A  39
HIS A  63
LEU A  65
VAL A  91
TYR A 101
TYR A 120
GLY A 136
 None
None
PG4  A 502 (-4.8A)
None
None
PG4  A 502 ( 4.7A)
None
PG4  A 502 (-4.8A)
PG4  A 502 ( 4.1A)
 0.88A 5i8fA-3ie5A:
26.8		 5i8fA-3ie5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I8F_A_ML1A210_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		 3ie5 PHENOLIC OXIDATIVE
COUPLING PROTEIN
HYP-1
(Hypericum
perforatum) 		5 / 12 GLN A  35
VAL A  38
PHE A  39
HIS A  63
TYR A  84
 None
None
PG4  A 502 (-4.8A)
None
None
 0.89A 5i8fA-3ie5A:
26.8		 5i8fA-3ie5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I8F_A_ML1A210_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		 3ie5 PHENOLIC OXIDATIVE
COUPLING PROTEIN
HYP-1
(Hypericum
perforatum) 		5 / 12 LEU A  31
VAL A  38
PHE A  39
HIS A  63
LEU A  65
 None
None
PG4  A 502 (-4.8A)
None
None
 1.03A 5i8fA-3ie5A:
26.8		 5i8fA-3ie5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I8F_A_ML1A210_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		 3ie5 PHENOLIC OXIDATIVE
COUPLING PROTEIN
HYP-1
(Hypericum
perforatum) 		5 / 12 LEU A  31
VAL A  38
PHE A  39
HIS A  63
TYR A  84
 None
None
PG4  A 502 (-4.8A)
None
None
 1.23A 5i8fA-3ie5A:
26.8		 5i8fA-3ie5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I8F_A_ML1A210_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		 3ie5 PHENOLIC OXIDATIVE
COUPLING PROTEIN
HYP-1
(Hypericum
perforatum) 		8 / 12 VAL A  38
HIS A  63
LEU A  65
VAL A  91
TYR A 101
TYR A 120
GLY A 136
LYS A 139
 None
None
None
PG4  A 502 ( 4.7A)
None
PG4  A 502 (-4.8A)
PG4  A 502 ( 4.1A)
None
 1.16A 5i8fA-3ie5A:
26.8		 5i8fA-3ie5A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEN_A_VDYA201_1
(CDL2.2)		 5nws SAACMM
(Streptomyces
antibioticus) 		5 / 12 PHE A  37
ILE A 361
GLU A 414
ALA A 281
LEU A 283
 PG4  A 503 (-3.6A)
None
PG4  A 503 ( 4.6A)
None
None
 1.09A 5ienA-5nwsA:
undetectable		 5ienA-5nwsA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEO_A_VDYA206_1
(CDL2.3A)		 1ued P450 MONOOXYGENASE
(Amycolatopsis
orientalis) 		5 / 12 PHE A 175
LEU A 219
LEU A 207
PHE A 199
ALA A 241
 None
None
None
None
PG4  A4502 (-4.3A)
 1.24A 5ieoA-1uedA:
undetectable		 5ieoA-1uedA:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKR_A_ID8A601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1h17 FORMATE
ACETYLTRANSFERASE 1
(Escherichia
coli) 		5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
 None
None
None
None
PG4  A9013 (-3.9A)
 1.09A 5ikrA-1h17A:
0.1		 5ikrA-1h17A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3ga4 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE-PROTEI
N
GLYCOSYLTRANSFERASE
SUBUNIT OST6
(Saccharomyces
cerevisiae) 		3 / 3 LEU A  98
TYR A 109
SER A  31
 PG4  A 178 (-4.0A)
None
None
 0.69A 5iktA-3ga4A:
undetectable		 5iktA-3ga4A:
16.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		 3fsn RETINAL PIGMENT
EPITHELIUM-SPECIFIC
65 KDA PROTEIN
(Bos
taurus) 		4 / 8 TYR A 190
LYS A 208
THR A 246
ARG A 296
 None
None
None
PG4  A 535 ( 3.3A)
 1.09A 5jhdE-3fsnA:
undetectable
5jhdG-3fsnA:
undetectable		 5jhdE-3fsnA:
19.11
5jhdG-3fsnA:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JHD_J_EDTJ301_0
(TCRBETA CHAIN)		 4ha4 BETA-GALACTOSIDASE
(Acidilobus
saccharovorans) 		4 / 5 TYR A 319
GLU A 360
GLY A 339
SER A 267
 None
None
None
PG4  A 507 (-2.8A)
 1.30A 5jhdJ-4ha4A:
undetectable		 5jhdJ-4ha4A:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JKW_A_TESA601_1
(AROMATASE)		 4g79 SPINDLE ASSEMBLY
ABNORMAL PROTEIN 6
(Caenorhabditis
elegans) 		5 / 11 ILE A  55
PHE A  65
ILE A 105
THR A  32
LEU A 109
 None
None
None
PG4  A 205 (-4.6A)
None
 1.07A 5jkwA-4g79A:
undetectable		 5jkwA-4g79A:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JL7_A_ASDA601_1
(AROMATASE)		 4g79 SPINDLE ASSEMBLY
ABNORMAL PROTEIN 6
(Caenorhabditis
elegans) 		5 / 10 ILE A  55
PHE A  65
ILE A 105
THR A  32
LEU A 109
 None
None
None
PG4  A 205 (-4.6A)
None
 1.03A 5jl7A-4g79A:
undetectable		 5jl7A-4g79A:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JVZ_B_FLPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1h17 FORMATE
ACETYLTRANSFERASE 1
(Escherichia
coli) 		5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
 None
None
None
None
PG4  A9013 (-3.9A)
 1.14A 5jvzB-1h17A:
0.0		 5jvzB-1h17A:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JWA_A_ACTA609_0
(NADH DEHYDROGENASE,
PUTATIVE)		 1w2u ENDOGLUCANASE
(Humicola
grisea) 		3 / 3 VAL A  87
SER A  88
TRP A  89
 None
PG4  A 501 (-3.2A)
None
 1.04A 5jwaA-1w2uA:
undetectable		 5jwaA-1w2uA:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KIR_B_RCXB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1h17 FORMATE
ACETYLTRANSFERASE 1
(Escherichia
coli) 		5 / 12 SER A 668
GLY A 643
ALA A 644
SER A 647
LEU A 648
 None
None
None
None
PG4  A9013 (-3.9A)
 1.02A 5kirB-1h17A:
0.0		 5kirB-1h17A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KR2_A_ROCA101_1
(PROTEASE PR5-SQV)		 4i4k UNCHARACTERIZED
PROTEIN SGCJ
(Streptomyces
globisporus) 		5 / 9 ASN A 134
ALA A 116
ILE A  82
GLY A  79
ILE A  78
 PG4  A 202 (-3.4A)
PG4  A 202 ( 3.8A)
None
PG4  A 202 ( 3.9A)
None
 1.24A 5kr2A-4i4kA:
undetectable		 5kr2A-4i4kA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LJB_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 3ppb PUTATIVE TETR FAMILY
TRANSCRIPTION
REGULATOR
(Shewanella
loihica) 		5 / 12 PHE A 187
LEU A  81
ALA A  85
MET A 124
ILE A 135
 PG4  A 216 (-4.7A)
None
PG4  A 216 ( 4.1A)
None
None
 1.13A 5ljbA-3ppbA:
undetectable		 5ljbA-3ppbA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LJC_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 3ppb PUTATIVE TETR FAMILY
TRANSCRIPTION
REGULATOR
(Shewanella
loihica) 		5 / 12 PHE A 187
LEU A  81
ALA A  85
LEU A  88
ILE A 135
 PG4  A 216 (-4.7A)
None
PG4  A 216 ( 4.1A)
PG4  A 216 (-3.8A)
None
 0.66A 5ljcA-3ppbA:
undetectable		 5ljcA-3ppbA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M54_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 3bni PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR
(Streptomyces
coelicolor) 		5 / 12 VAL A  84
PHE A 163
ARG A 197
GLY A  94
LEU A 151
 None
PG4  A 301 ( 4.9A)
None
None
None
 1.03A 5m54E-3bniA:
undetectable		 5m54E-3bniA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5K_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 4nv4 SIGNAL PEPTIDASE I
(Bacillus
anthracis) 		5 / 12 THR A 132
THR A 123
ASP A 154
HIS A 157
PHE A 143
 None
None
None
PG4  A 201 (-3.9A)
None
 1.45A 5m5kB-4nv4A:
undetectable		 5m5kB-4nv4A:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5D_B_SAMB303_0
(METHYLTRANSFERASE)		 5cwn DESIGNED HELICAL
REPEAT PROTEIN
(synthetic
construct) 		5 / 12 LEU A  87
ALA A  90
VAL A  89
ALA A  70
ALA A  82
 PG4  A 303 ( 3.7A)
None
PG4  A 301 ( 4.2A)
None
None
 1.14A 5n5dB-5cwnA:
undetectable		 5n5dB-5cwnA:
23.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_A_ACTA301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 6 ASP A 103
HIS A 104
HIS A 105
HIS A  19
 None
MN  A 402 (-3.5A)
PG4  A 403 (-4.5A)
MN  A 401 (-3.5A)
 0.88A 5ncdA-5o25A:
undetectable
5ncdD-5o25A:
undetectable		 5ncdA-5o25A:
20.40
5ncdD-5o25A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_C_ACTC301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 6 HIS A  19
ASP A 103
HIS A 104
HIS A 105
 MN  A 401 (-3.5A)
None
MN  A 402 (-3.5A)
PG4  A 403 (-4.5A)
 0.83A 5ncdB-5o25A:
undetectable
5ncdC-5o25A:
undetectable		 5ncdB-5o25A:
20.40
5ncdC-5o25A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ND2_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		 5nws SAACMM
(Streptomyces
antibioticus) 		5 / 12 GLU A 414
HIS A 286
ALA A 282
PRO A 413
LEU A 408
 PG4  A 503 ( 4.6A)
None
None
None
None
 1.29A 5nd2B-5nwsA:
undetectable		 5nd2B-5nwsA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEL_A_ACTA302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 6 ASP A 103
HIS A 104
HIS A 105
HIS A  19
 None
MN  A 402 (-3.5A)
PG4  A 403 (-4.5A)
MN  A 401 (-3.5A)
 0.91A 5nelA-5o25A:
undetectable
5nelD-5o25A:
undetectable		 5nelA-5o25A:
20.40
5nelD-5o25A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NY7_A_NCAA303_0
(AMIDASE)		 4q9c NOVEL ANTIGEN
RECEPTOR
(Ginglymostoma
cirratum) 		4 / 6 ARG A 375
GLY A 376
THR A 409
GLU A 405
 CL  A 903 (-4.1A)
PG4  A 902 ( 4.1A)
PG4  A 902 ( 4.7A)
PG4  A 902 (-4.5A)
 1.11A 5ny7A-4q9cA:
undetectable		 5ny7A-4q9cA:
14.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NZW_A_9F2A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		5 / 10 HIS A  56
HIS A  58
HIS A  61
HIS A 132
ASP A 151
 None
PG4  A1212 ( 3.7A)
ZN  A1211 (-3.3A)
None
ZN  A1211 (-2.4A)
 0.51A 5nzwA-2xf4A:
2.4		 5nzwA-2xf4A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		 3os7 GALACTOSE
MUTAROTASE-LIKE
PROTEIN
(Clostridium
acetobutylicum) 		4 / 8 ASN A 310
PRO A 309
PHE A 320
TYR A 284
 None
PG4  A 400 ( 4.9A)
None
PG4  A 344 (-4.4A)
 1.46A 5oh1C-3os7A:
undetectable		 5oh1C-3os7A:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UAN_B_REAB503_1
(RETINOIC ACID
RECEPTOR BETA)		 4mes THIAMINE TRANSPORTER
THIT
(Lactococcus
lactis) 		5 / 12 ALA A  95
LEU A 166
LEU A  45
ILE A  42
SER A  91
 None
None
None
P6G  A 220 (-3.9A)
PG4  A 207 (-4.8A)
 1.41A 5uanB-4mesA:
undetectable		 5uanB-4mesA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UAN_B_REAB503_1
(RETINOIC ACID
RECEPTOR BETA)		 4mes THIAMINE TRANSPORTER
THIT
(Lactococcus
lactis) 		5 / 12 ALA A  95
LEU A 166
LEU A  45
ILE A  44
SER A  91
 None
None
None
None
PG4  A 207 (-4.8A)
 1.29A 5uanB-4mesA:
undetectable		 5uanB-4mesA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UC1_A_486A801_1
(GLUCOCORTICOID
RECEPTOR)		 1ued P450 MONOOXYGENASE
(Amycolatopsis
orientalis) 		5 / 12 LEU A 161
LEU A 242
GLY A 245
LEU A 361
MET A 365
 None
HEM  A1430 ( 4.5A)
PG4  A4502 ( 3.7A)
HEM  A1430 ( 4.9A)
None
 1.09A 5uc1A-1uedA:
undetectable		 5uc1A-1uedA:
8.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UC1_B_486B801_2
(GLUCOCORTICOID
RECEPTOR)		 1ued P450 MONOOXYGENASE
(Amycolatopsis
orientalis) 		5 / 12 LEU A 161
LEU A 242
GLY A 245
LEU A 361
MET A 365
 None
HEM  A1430 ( 4.5A)
PG4  A4502 ( 3.7A)
HEM  A1430 ( 4.9A)
None
 1.10A 5uc1B-1uedA:
undetectable		 5uc1B-1uedA:
8.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UC3_A_486A801_1
(GLUCOCORTICOID
RECEPTOR)		 3c1a PUTATIVE
OXIDOREDUCTASE
(Magnetospirillum
magnetotacticum) 		5 / 12 GLY A 261
GLN A 258
TRP A 263
MET A 183
LEU A 233
 None
None
None
None
PG4  A 315 ( 4.2A)
 1.44A 5uc3A-3c1aA:
undetectable		 5uc3A-3c1aA:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UJX_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2r44 UNCHARACTERIZED
PROTEIN
(Cytophaga
hutchinsonii) 		5 / 12 ILE A 296
ALA A 265
LYS A 290
THR A 241
ILE A 321
 None
None
PG4  A 338 ( 2.5A)
None
None
 1.12A 5ujxB-2r44A:
undetectable		 5ujxB-2r44A:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNS_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.38A 5unsA-3nkzA:
undetectable
5unsB-3nkzA:
undetectable		 5unsA-3nkzA:
15.33
5unsB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNT_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.41A 5untA-3nkzA:
4.1
5untB-3nkzA:
undetectable		 5untA-3nkzA:
15.33
5untB-3nkzA:
15.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		6 / 12 LYS A 194
GLU A 195
ARG A 256
LEU A 259
ILE A 289
ALA A 290
 CL  A 617 ( 4.0A)
None
PG4  A 602 (-4.1A)
PG4  A 602 ( 4.5A)
PG4  A 602 ( 4.4A)
PG4  A 602 (-3.4A)
 1.25A 5v0vA-5dqfA:
51.9		 5v0vA-5dqfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		8 / 12 LYS A 194
LEU A 218
LEU A 237
ARG A 256
LEU A 259
ILE A 289
ALA A 290
GLU A 291
 CL  A 617 ( 4.0A)
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.1A)
PG4  A 602 ( 4.5A)
PG4  A 602 ( 4.4A)
PG4  A 602 (-3.4A)
CL  A 617 ( 4.4A)
 0.43A 5v0vA-5dqfA:
51.9		 5v0vA-5dqfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		8 / 12 LYS A 194
LEU A 218
LEU A 237
HIS A 241
LEU A 259
ILE A 289
ALA A 290
GLU A 291
 CL  A 617 ( 4.0A)
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 ( 4.5A)
PG4  A 602 ( 4.4A)
PG4  A 602 (-3.4A)
CL  A 617 ( 4.4A)
 0.54A 5v0vA-5dqfA:
51.9		 5v0vA-5dqfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 5dqf SERUM ALBUMIN
(Equus
caballus) 		6 / 12 TYR A 149
LYS A 194
LEU A 218
LEU A 237
HIS A 241
GLU A 291
 PG4  A 602 (-4.9A)
CL  A 617 ( 4.0A)
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
CL  A 617 ( 4.4A)
 1.22A 5v0vA-5dqfA:
51.9		 5v0vA-5dqfA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCE_A_RITA602_1
(CYTOCHROME P450 3A4)		 1ued P450 MONOOXYGENASE
(Amycolatopsis
orientalis) 		5 / 12 PHE A 175
ILE A 179
PHE A 199
ALA A 241
GLU A 163
 None
None
None
PG4  A4502 (-4.3A)
None
 1.12A 5vceA-1uedA:
9.7		 5vceA-1uedA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VIM_A_SAMA301_1
(METHYLTRANSFERASE)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		4 / 4 SER A  13
THR A 128
ASP A 126
ASP A  91
 PG4  A 302 ( 3.8A)
None
None
None
 1.32A 5vimA-4mqbA:
undetectable		 5vimA-4mqbA:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_F_CVIF301_0
(REGULATORY PROTEIN
TETR)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		5 / 12 MET A  96
ALA A  92
GLY A  89
LEU A  59
ASP A  83
 PG4  A1212 ( 3.9A)
PG4  A1212 (-3.7A)
None
None
None
 1.30A 5vlmF-2xf4A:
undetectable		 5vlmF-2xf4A:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_F_CVIF301_1
(REGULATORY PROTEIN
TETR)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		4 / 8 ILE A 243
ARG A 281
GLN A 280
ASP A 236
 None
None
PG4  A 607 ( 4.4A)
None
 0.94A 5vlmF-3m07A:
undetectable		 5vlmF-3m07A:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_E_C2FE3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4n91 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Anaerococcus
prevotii) 		4 / 5 ASN A 103
ASP A 104
ASN A 318
ASP A 319
 PG4  A 404 ( 4.9A)
None
None
None
 1.45A 5vooE-4n91A:
undetectable		 5vooE-4n91A:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2r44 UNCHARACTERIZED
PROTEIN
(Cytophaga
hutchinsonii) 		3 / 3 ASP A 147
ASN A 110
ASP A  70
 None
None
PG4  A 337 (-3.6A)
 0.83A 5vopA-2r44A:
undetectable		 5vopA-2r44A:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUI_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.39A 5vuiA-3nkzA:
2.2
5vuiB-3nkzA:
undetectable		 5vuiA-3nkzA:
15.33
5vuiB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUI_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.45A 5vuiA-3nkzA:
2.2
5vuiB-3nkzA:
undetectable		 5vuiA-3nkzA:
15.33
5vuiB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUJ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.47A 5vujA-3nkzA:
4.1
5vujB-3nkzA:
undetectable		 5vujA-3nkzA:
15.33
5vujB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUJ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.48A 5vujA-3nkzA:
4.1
5vujB-3nkzA:
undetectable		 5vujA-3nkzA:
15.33
5vujB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUL_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.33A 5vulA-3nkzA:
undetectable
5vulB-3nkzA:
undetectable		 5vulA-3nkzA:
15.33
5vulB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUL_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.34A 5vulA-3nkzA:
undetectable
5vulB-3nkzA:
undetectable		 5vulA-3nkzA:
15.33
5vulB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUM_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.35A 5vumA-3nkzA:
4.1
5vumB-3nkzA:
undetectable		 5vumA-3nkzA:
15.33
5vumB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUP_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.33A 5vupA-3nkzA:
undetectable
5vupB-3nkzA:
undetectable		 5vupA-3nkzA:
15.33
5vupB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUP_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.31A 5vupA-3nkzA:
undetectable
5vupB-3nkzA:
undetectable		 5vupA-3nkzA:
15.33
5vupB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUR_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.48A 5vurA-3nkzA:
4.1
5vurB-3nkzA:
2.3		 5vurA-3nkzA:
15.33
5vurB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUS_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.31A 5vusA-3nkzA:
2.3
5vusB-3nkzA:
undetectable		 5vusA-3nkzA:
15.33
5vusB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUT_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.35A 5vutA-3nkzA:
undetectable
5vutB-3nkzA:
undetectable		 5vutA-3nkzA:
15.33
5vutB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUU_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.36A 5vuuA-3nkzA:
undetectable
5vuuB-3nkzA:
undetectable		 5vuuA-3nkzA:
15.33
5vuuB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUZ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.47A 5vuzA-3nkzA:
undetectable
5vuzB-3nkzA:
undetectable		 5vuzA-3nkzA:
15.33
5vuzB-3nkzA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W97_J_CHDJ101_1
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 5 TYR A  92
MET A  85
THR A 157
LEU A 158
 PG4  A1218 (-3.6A)
None
None
None
 1.19A 5w97J-2caiA:
undetectable		 5w97J-2caiA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 5 TYR A  92
MET A  85
THR A 157
LEU A 158
 PG4  A1218 (-3.6A)
None
None
None
 1.13A 5x19J-2caiA:
undetectable		 5x19J-2caiA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 5 TYR A  92
MET A  85
THR A 157
LEU A 158
 PG4  A1218 (-3.6A)
None
None
None
 1.20A 5x1bJ-2caiA:
undetectable		 5x1bJ-2caiA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 5 TYR A  92
MET A  85
THR A 157
LEU A 158
 PG4  A1218 (-3.6A)
None
None
None
 1.21A 5x1bW-2caiA:
undetectable		 5x1bW-2caiA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 5 TYR A  92
MET A  85
THR A 157
LEU A 158
 PG4  A1218 (-3.6A)
None
None
None
 1.14A 5x1fW-2caiA:
undetectable		 5x1fW-2caiA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X80_A_SALA201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 6gmb HYDROXYACID OXIDASE
1
(Homo
sapiens) 		4 / 5 VAL A 294
ARG A 295
PRO A 316
GLY A 314
 None
FMN  A 506 ( 2.6A)
PG4  A 503 ( 3.7A)
FMN  A 506 (-3.4A)
 1.06A 5x80A-6gmbA:
undetectable
5x80B-6gmbA:
0.0		 5x80A-6gmbA:
18.45
5x80B-6gmbA:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 4nv4 SIGNAL PEPTIDASE I
(Bacillus
anthracis) 		5 / 12 LEU A 110
HIS A 157
PHE A 126
THR A 132
GLY A 159
 None
PG4  A 201 (-3.9A)
None
None
None
 1.27A 5xipA-4nv4A:
undetectable		 5xipA-4nv4A:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIP_A_HFGA1003_1
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		3 / 3 GLU A 155
TRP A 162
HIS A 169
 GOL  A 278 (-3.4A)
PG4  A 274 ( 4.0A)
PG4  A 274 (-3.9A)
 1.09A 5xipA-3rq0A:
undetectable		 5xipA-3rq0A:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 4nv4 SIGNAL PEPTIDASE I
(Bacillus
anthracis) 		5 / 12 LEU A 110
HIS A 157
PHE A 126
THR A 132
GLY A 159
 None
PG4  A 201 (-3.9A)
None
None
None
 1.25A 5xipC-4nv4A:
undetectable		 5xipC-4nv4A:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIQ_A_HFGA1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 4nv4 SIGNAL PEPTIDASE I
(Bacillus
anthracis) 		5 / 12 LEU A 110
HIS A 157
PHE A 126
THR A 132
GLY A 159
 None
PG4  A 201 (-3.9A)
None
None
None
 1.32A 5xiqA-4nv4A:
undetectable		 5xiqA-4nv4A:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIQ_D_HFGD1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 4nv4 SIGNAL PEPTIDASE I
(Bacillus
anthracis) 		5 / 12 LEU A 110
HIS A 157
PHE A 126
THR A 132
GLY A 159
 None
PG4  A 201 (-3.9A)
None
None
None
 1.29A 5xiqD-4nv4A:
undetectable		 5xiqD-4nv4A:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XXI_A_LSNA501_1
(CYTOCHROME P450 2C9)		 5eus PRESTIN,RAT PRESTIN
STAS DOMAIN
(Rattus
norvegicus) 		5 / 12 ALA A 547
GLY A 662
ALA A 661
LEU A 701
LEU A 676
 None
None
None
PG4  A 806 ( 4.3A)
None
 1.08A 5xxiA-5eusA:
undetectable		 5xxiA-5eusA:
16.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7P_G_CHDG401_0
(BILE SALT HYDROLASE)		 4gl0 LMO0810 PROTEIN
(Listeria
monocytogenes) 		5 / 10 TYR A 344
PHE A 349
LEU A 206
ALA A 202
LEU A 184
 PG4  A 503 (-3.7A)
None
None
None
None
 1.17A 5y7pG-4gl0A:
undetectable		 5y7pG-4gl0A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YCN_A_8LXA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 6 CYH A 234
SER A 239
HIS A  97
TYR A 226
 PG4  A 281 (-3.5A)
None
None
None
 1.49A 5ycnA-3oosA:
undetectable		 5ycnA-3oosA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z84_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3llc PUTATIVE HYDROLASE
(Agrobacterium
vitis) 		4 / 5 ILE A 153
PHE A 148
TYR A  45
ARG A  46
 PG4  A 277 ( 4.6A)
PG4  A 277 ( 4.1A)
None
None
 1.20A 5z84N-3llcA:
undetectable
5z84W-3llcA:
undetectable		 5z84N-3llcA:
20.12
5z84W-3llcA:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		 2xf4 HYDROXYACYLGLUTATHIO
NE HYDROLASE
(Salmonella
enterica) 		4 / 8 HIS A  58
ASP A  60
HIS A 132
HIS A 192
 PG4  A1212 ( 3.7A)
ZN  A1211 ( 2.8A)
None
ZN  A1211 (-3.3A)
 0.84A 5zj8A-2xf4A:
18.7		 5zj8A-2xf4A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZJI_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4kpt GLUTAMINE ABC
TRANSPORTER PERMEASE
AND SUBSTRATE
BINDING PROTEIN
PROTEIN
(Lactococcus
lactis) 		5 / 10 MET A 216
PHE A 105
GLY A  90
ALA A  79
LEU A  80
 None
None
None
None
PG4  A 303 ( 4.2A)
 1.45A 5zjiA-4kptA:
undetectable
5zjiJ-4kptA:
undetectable		 5zjiA-4kptA:
16.05
5zjiJ-4kptA:
11.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A93_B_8NUB3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		 5kc9 GLUTAMATE RECEPTOR
IONOTROPIC, DELTA-1
(Mus
musculus) 		5 / 12 VAL A 256
LEU A 154
PHE A 165
LEU A 190
VAL A 192
 None
None
None
None
PG4  A 523 (-3.7A)
 1.26A 6a93B-5kc9A:
undetectable		 6a93B-5kc9A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AK3_A_P2EA1201_0
(PROSTAGLANDIN E2
RECEPTOR EP3
SUBTYPE,SOLUBLE
CYTOCHROME B562)		 4x9l HEAT SHOCK PROTEIN
(Oryza
sativa) 		5 / 12 THR A 140
THR A 139
VAL A 138
LEU A  36
GLN A  61
 None
PG4  A 302 ( 4.2A)
None
None
None
 1.40A 6ak3A-4x9lA:
undetectable		 6ak3A-4x9lA:
17.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUR_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.49A 6aurA-3nkzA:
undetectable
6aurB-3nkzA:
undetectable		 6aurA-3nkzA:
20.66
6aurB-3nkzA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUR_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.48A 6aurA-3nkzA:
undetectable
6aurB-3nkzA:
undetectable		 6aurA-3nkzA:
20.66
6aurB-3nkzA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUT_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.46A 6autA-3nkzA:
undetectable
6autB-3nkzA:
undetectable		 6autA-3nkzA:
20.66
6autB-3nkzA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUT_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.44A 6autA-3nkzA:
undetectable
6autB-3nkzA:
undetectable		 6autA-3nkzA:
20.66
6autB-3nkzA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXL_B_SAMB401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A 174
SER A 220
VAL A 216
VAL A 168
ASP A 152
 PG4  A 274 ( 4.5A)
None
None
None
GOL  A 278 (-3.8A)
 1.20A 6bxlB-3rq0A:
undetectable		 6bxlB-3rq0A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXN_A_SAMA901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		 5mu5 UNCHARACTERIZED
PROTEIN
(Magnetospirillum
magneticum) 		5 / 12 LEU A 509
VAL A 309
ILE A 284
ASP A 286
ASP A 285
 None
None
None
PG4  A 705 ( 4.7A)
None
 1.44A 6bxnA-5mu5A:
undetectable		 6bxnA-5mu5A:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CBZ_A_ESTA601_1
(ESTROGEN RECEPTOR)		 2r44 UNCHARACTERIZED
PROTEIN
(Cytophaga
hutchinsonii) 		4 / 8 GLU A 189
LEU A 184
HIS A 180
LEU A 181
 None
PG4  A 342 (-4.2A)
None
PG4  A 342 ( 4.1A)
 1.09A 6cbzA-2r44A:
undetectable		 6cbzA-2r44A:
14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CIC_A_H4BA802_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.42A 6cicA-3nkzA:
undetectable
6cicB-3nkzA:
undetectable		 6cicA-3nkzA:
20.17
6cicB-3nkzA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CIC_B_H4BB802_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.45A 6cicA-3nkzA:
undetectable
6cicB-3nkzA:
undetectable		 6cicA-3nkzA:
20.17
6cicB-3nkzA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CID_A_H4BA802_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 MET A  38
ARG A  69
VAL A  44
GLU A  37
 None
None
PG4  A 122 ( 4.2A)
None
 1.38A 6cidA-3nkzA:
2.3
6cidB-3nkzA:
2.4		 6cidA-3nkzA:
20.17
6cidB-3nkzA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CID_B_H4BB803_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3nkz FLAGELLAR PROTEIN
FLIT
(Yersinia
enterocolitica) 		4 / 7 GLU A  37
MET A  38
ARG A  69
VAL A  44
 None
None
None
PG4  A 122 ( 4.2A)
 1.45A 6cidA-3nkzA:
2.3
6cidB-3nkzA:
2.4		 6cidA-3nkzA:
20.17
6cidB-3nkzA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CNJ_A_NCTA402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 5m6q UNCHARACTERIZED
PROTEIN
(Kutzneria
albida) 		4 / 7 TYR A  22
TRP A 187
TYR A  29
TRP A  17
 None
None
None
PG4  A 305 ( 4.2A)
 1.21A 6cnjA-5m6qA:
undetectable
6cnjB-5m6qA:
undetectable		 6cnjA-5m6qA:
15.56
6cnjB-5m6qA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CNJ_D_NCTD402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 5m6q UNCHARACTERIZED
PROTEIN
(Kutzneria
albida) 		4 / 8 TYR A  22
TRP A 187
TYR A  29
TRP A  17
 None
None
None
PG4  A 305 ( 4.2A)
 1.14A 6cnjD-5m6qA:
undetectable
6cnjE-5m6qA:
undetectable		 6cnjD-5m6qA:
15.56
6cnjE-5m6qA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CNK_B_NCTB402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 5m6q UNCHARACTERIZED
PROTEIN
(Kutzneria
albida) 		4 / 7 TYR A  22
TRP A 187
TYR A  29
TRP A  17
 None
None
None
PG4  A 305 ( 4.2A)
 1.18A 6cnkB-5m6qA:
undetectable
6cnkC-5m6qA:
undetectable		 6cnkB-5m6qA:
15.56
6cnkC-5m6qA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 3ejn SUSD HOMOLOG
(Bacteroides
fragilis) 		5 / 12 TYR A 116
THR A  57
TRP A 451
THR A 198
LEU A 199
 None
None
PG4  A   1 (-3.9A)
None
None
 1.34A 6djzB-3ejnA:
undetectable		 6djzB-3ejnA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6E8Q_A_X2NA602_0
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		5 / 12 GLY A  39
ILE A 142
GLY A  14
THR A  17
THR A  35
 None
None
PG4  A 302 (-3.5A)
PG4  A 302 (-3.8A)
None
 1.20A 6e8qA-4mqbA:
undetectable		 6e8qA-4mqbA:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ECT_A_SAMA1300_0
(STIE PROTEIN)		 5d2e MLNE
(Bacillus
velezensis) 		5 / 12 GLY A 387
ILE A 357
GLU A 339
LEU A 343
ILE A 344
 None
None
PG4  A 603 (-3.9A)
PG4  A 603 ( 4.5A)
None
 1.06A 6ectA-5d2eA:
3.2		 6ectA-5d2eA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		 2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE
(Schistosoma
mansoni) 		4 / 5 PHE A 343
VAL A 519
PRO A 476
VAL A 341
 PG4  A1597 (-3.7A)
None
None
None
 1.28A 6ekzA-2v6oA:
undetectable		 6ekzA-2v6oA:
9.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EU9_B_REAB601_1
(RETINOIC ACID
RECEPTOR)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 10 VAL A 160
LEU A 163
SER A 164
GLY A 231
GLY A 383
 None
PG4  A1399 (-4.8A)
None
HEM  A1400 (-3.2A)
None
 0.78A 6eu9B-2xkrA:
2.0		 6eu9B-2xkrA:
9.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EU9_B_REAB601_1
(RETINOIC ACID
RECEPTOR)		 2xkr PUTATIVE CYTOCHROME
P450 142
(Mycobacterium
tuberculosis) 		5 / 10 VAL A 160
LEU A 163
SER A 164
GLY A 383
ARG A 236
 None
PG4  A1399 (-4.8A)
None
None
None
 0.90A 6eu9B-2xkrA:
2.0		 6eu9B-2xkrA:
9.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_B_TA1B501_2
(TUBULIN BETA CHAIN)		 3l77 SHORT-CHAIN ALCOHOL
DEHYDROGENASE
(Thermococcus
sibiricus) 		4 / 5 LEU A  89
THR A   7
PRO A 178
ARG A 177
 None
None
NJP  A 501 (-4.7A)
PG4  A 251 (-3.3A)
 1.21A 6ew0B-3l77A:
undetectable		 6ew0B-3l77A:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_D_TA1D501_2
(TUBULIN BETA CHAIN)		 3l77 SHORT-CHAIN ALCOHOL
DEHYDROGENASE
(Thermococcus
sibiricus) 		4 / 5 LEU A  89
THR A   7
PRO A 178
ARG A 177
 None
None
NJP  A 501 (-4.7A)
PG4  A 251 (-3.3A)
 1.21A 6ew0D-3l77A:
undetectable		 6ew0D-3l77A:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_H_TA1H501_2
(TUBULIN BETA CHAIN)		 3l77 SHORT-CHAIN ALCOHOL
DEHYDROGENASE
(Thermococcus
sibiricus) 		4 / 5 LEU A  89
THR A   7
PRO A 178
ARG A 177
 None
None
NJP  A 501 (-4.7A)
PG4  A 251 (-3.3A)
 1.21A 6ew0H-3l77A:
undetectable		 6ew0H-3l77A:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_I_TA1I501_2
(TUBULIN BETA CHAIN)		 3l77 SHORT-CHAIN ALCOHOL
DEHYDROGENASE
(Thermococcus
sibiricus) 		4 / 5 LEU A  89
THR A   7
PRO A 178
ARG A 177
 None
None
NJP  A 501 (-4.7A)
PG4  A 251 (-3.3A)
 1.20A 6ew0I-3l77A:
undetectable		 6ew0I-3l77A:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HQB_B_PQNB2002_0
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 2pyx TRYPTOPHAN
HALOGENASE
(Shewanella
frigidimarina) 		5 / 9 MET A  65
SER A  64
ILE A 349
ALA A 371
LEU A  24
 None
None
None
None
PG4  A 529 (-3.8A)
 1.39A 6hqbB-2pyxA:
0.0		 6hqbB-2pyxA:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MB7_A_PARA900_0
(AAC(3)-IIIB PROTEIN)		 4kq7 HYPOTHETICAL PROTEIN
(Bacteroides
uniformis) 		5 / 10 ASN A 357
TYR A 263
THR A 295
GLY A 294
ASP A 297
 None
None
None
None
PG4  A 504 (-3.2A)
 1.37A 6mb7A-4kq7A:
undetectable		 6mb7A-4kq7A:
11.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MDQ_A_TESA604_0
(SERUM ALBUMIN)		 3ppb PUTATIVE TETR FAMILY
TRANSCRIPTION
REGULATOR
(Shewanella
loihica) 		4 / 8 ALA A 123
GLY A 129
LEU A 128
ALA A  68
 None
None
PG4  A 216 (-4.6A)
None
 0.83A 6mdqA-3ppbA:
3.7		 6mdqA-3ppbA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5m6q UNCHARACTERIZED
PROTEIN
(Kutzneria
albida) 		4 / 6 HIS A 188
ASP A  21
TYR A  22
HIS A 205
 None
PG4  A 305 (-3.6A)
None
MES  A 303 (-4.0A)
 1.24A 6nknA-5m6qA:
undetectable
6nknC-5m6qA:
undetectable		 6nknA-5m6qA:
18.98
6nknC-5m6qA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_J_CHDJ102_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 5 TYR A  92
MET A  85
THR A 157
LEU A 158
 PG4  A1218 (-3.6A)
None
None
None
 1.20A 6nknJ-2caiA:
undetectable		 6nknJ-2caiA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_W_CHDW102_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2cai GLUTATHIONE
S-TRANSFERASE 28 KDA
(Schistosoma
haematobium) 		4 / 5 TYR A  92
MET A  85
THR A 157
LEU A 158
 PG4  A1218 (-3.6A)
None
None
None
 1.25A 6nknW-2caiA:
undetectable		 6nknW-2caiA:
14.80