SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'UNX'


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.
11GS_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE)		 2hp3 IDS-EPIMERASE
(Agrobacterium
tumefaciens) 		4 / 7 PHE A 371
VAL A 306
ILE A 393
GLY A 373
 None
None
None
UNX  A1212 ( 3.6A)
 0.96A 11gsA-2hp3A:
undetectable		 11gsA-2hp3A:
18.30
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.
11GS_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE)		 5c5u PROLYL 4-HYDROXYLASE
(Paramecium
bursaria
Chlorella
virus
1) 		4 / 7 PHE A 188
GLY A 223
ILE A 233
TYR A 174
 None
UNX  A 302 ( 3.5A)
UNX  A 303 ( 4.4A)
None
 0.82A 11gsB-5c5uA:
undetectable		 11gsB-5c5uA:
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.
1A4G_B_ZMRB466_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.23A 1a4gB-3lp8A:
undetectable		 1a4gB-3lp8A:
22.85
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.
1A4G_B_ZMRB466_2
(NEURAMINIDASE)		 4q1z PUTATIVE LIPOPROTEIN
(Bacteroides
thetaiotaomicron) 		3 / 3 ASP A 376
ARG A 346
ILE A 108
 None
UNX  A 400 ( 4.2A)
None
 0.61A 1a4gB-4q1zA:
undetectable		 1a4gB-4q1zA:
20.81
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.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		9 / 12 HIS A  55
HIS A  57
ASP A  59
PHE A 101
HIS A 239
GLU A 242
HIS A 266
ASP A 323
ASP A 324
 CO  A1000 (-3.3A)
CO  A1000 (-3.2A)
None
UNX  A2004 ( 4.8A)
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.68A 1a4lA-2amxA:
39.8		 1a4lA-2amxA:
25.86
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.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		5 / 12 HIS A  55
PHE A 328
PHE A 101
HIS A 266
ASP A 324
 CO  A1000 (-3.3A)
None
UNX  A2004 ( 4.8A)
None
None
 1.00A 1a4lA-2amxA:
39.8		 1a4lA-2amxA:
25.86
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.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 HIS A  92
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.2A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 0.95A 1a4lA-3t8lA:
16.8		 1a4lA-3t8lA:
21.17
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.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 1.09A 1a4lA-3t8lA:
16.8		 1a4lA-3t8lA:
21.17
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.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		8 / 12 HIS A  57
ASP A  59
PHE A 101
HIS A 239
GLU A 242
HIS A 266
ASP A 323
ASP A 324
 CO  A1000 (-3.2A)
None
UNX  A2004 ( 4.8A)
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.72A 1a4lB-2amxA:
39.8		 1a4lB-2amxA:
25.86
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.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		5 / 12 HIS A  57
LEU A 297
PHE A 101
HIS A 239
ASP A 324
 CO  A1000 (-3.2A)
None
UNX  A2004 ( 4.8A)
CO  A1000 (-3.4A)
None
 1.41A 1a4lB-2amxA:
39.8		 1a4lB-2amxA:
25.86
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.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		9 / 12 HIS A  55
HIS A  57
ASP A  59
PHE A 101
HIS A 239
GLU A 242
HIS A 266
ASP A 323
ASP A 324
 CO  A1000 (-3.3A)
CO  A1000 (-3.2A)
None
UNX  A2004 ( 4.8A)
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.64A 1a4lC-2amxA:
39.8		 1a4lC-2amxA:
25.86
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.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		5 / 12 HIS A  55
PHE A 328
PHE A 101
HIS A 266
ASP A 324
 CO  A1000 (-3.3A)
None
UNX  A2004 ( 4.8A)
None
None
 0.97A 1a4lC-2amxA:
39.8		 1a4lC-2amxA:
25.86
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.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		6 / 12 HIS A  92
HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.2A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 1.07A 1a4lC-3t8lA:
16.7		 1a4lC-3t8lA:
21.17
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.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		7 / 12 HIS A  57
ASP A  59
GLY A 213
GLU A 242
HIS A 266
ASP A 323
ASP A 324
 CO  A1000 (-3.2A)
None
None
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.75A 1a4lD-2amxA:
39.9		 1a4lD-2amxA:
25.86
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.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		9 / 12 HIS A  57
ASP A  59
PHE A 101
GLY A 214
HIS A 239
GLU A 242
HIS A 266
ASP A 323
ASP A 324
 CO  A1000 (-3.2A)
None
UNX  A2004 ( 4.8A)
None
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.65A 1a4lD-2amxA:
39.9		 1a4lD-2amxA:
25.86
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.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		5 / 12 HIS A  57
PHE A 328
PHE A 101
HIS A  55
ASP A 324
 CO  A1000 (-3.2A)
None
UNX  A2004 ( 4.8A)
CO  A1000 (-3.3A)
None
 1.36A 1a4lD-2amxA:
39.9		 1a4lD-2amxA:
25.86
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.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 1.07A 1a4lD-3t8lA:
16.6		 1a4lD-3t8lA:
21.17
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.
1ACJ_A_THAA999_1
(ACETYLCHOLINESTERASE)		 4ege DIPEPTIDASE PEPE
(Mycobacterium
ulcerans) 		5 / 9 GLY A 206
GLU A 179
TYR A 339
ILE A 202
HIS A 214
 None
None
None
None
UNX  A 424 ( 3.2A)
 1.24A 1acjA-4egeA:
undetectable		 1acjA-4egeA:
21.39
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.
1D4F_D_ADND604_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 4iv5 ASPARTATE
CARBAMOYLTRANSFERASE
, PUTATIVE
(Trypanosoma
cruzi) 		4 / 5 THR A 151
THR A 175
HIS A 141
HIS A 287
 None
None
UNX  A 402 ( 4.2A)
None
 1.37A 1d4fD-4iv5A:
4.5		 1d4fD-4iv5A:
21.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DZM_A_BZMA600_0
(ODORANT-BINDING
PROTEIN)		 1obp ODORANT-BINDING
PROTEIN
(Bos
taurus) 		4 / 8 ILE A  22
ASN A  87
ASN A 103
GLY A 117
 UNX  A 186 (-3.9A)
UNX  A 197 (-3.7A)
UNX  A 198 ( 2.8A)
UNX  A 181 (-2.9A)
 0.36A 1dzmA-1obpA:
18.3		 1dzmA-1obpA:
43.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DZM_B_BZMB600_0
(ODORANT-BINDING
PROTEIN)		 1obp ODORANT-BINDING
PROTEIN
(Bos
taurus) 		5 / 9 ILE A  22
TYR A  83
ASN A  87
ASN A 103
GLY A 117
 UNX  A 186 (-3.9A)
UNX  A 167 ( 4.6A)
UNX  A 197 (-3.7A)
UNX  A 198 ( 2.8A)
UNX  A 181 (-2.9A)
 0.49A 1dzmB-1obpA:
18.6		 1dzmB-1obpA:
43.31
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.
1E3V_A_DXCA801_0
(STEROID
DELTA-ISOMERASE)		 3qz4 ENDO-1,4-BETA-XYLANA
SE D
(Bacteroides
thetaiotaomicron) 		5 / 12 ASP A  39
TYR A 243
GLY A 308
ASP A 163
ALA A 101
 EPE  A 338 (-2.7A)
None
None
EPE  A 338 ( 4.6A)
UNX  A 334 ( 4.8A)
 0.93A 1e3vA-3qz4A:
undetectable		 1e3vA-3qz4A:
14.79
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.
1E3V_B_DXCB801_0
(STEROID
DELTA-ISOMERASE)		 3qz4 ENDO-1,4-BETA-XYLANA
SE D
(Bacteroides
thetaiotaomicron) 		5 / 11 ASP A  39
TYR A 243
GLY A 308
ASP A 163
ALA A 101
 EPE  A 338 (-2.7A)
None
None
EPE  A 338 ( 4.6A)
UNX  A 334 ( 4.8A)
 0.95A 1e3vB-3qz4A:
undetectable		 1e3vB-3qz4A:
14.79
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.
1EIZ_A_SAMA301_0
(FTSJ)		 4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C
(Homo
sapiens) 		5 / 12 ALA A  95
GLY A 120
PRO A 123
GLY A 124
LEU A 142
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.6A)
None
UNX  A1016 ( 2.9A)
SAH  A1001 (-4.2A)
 0.56A 1eizA-4mtlA:
11.6		 1eizA-4mtlA:
20.63
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.
1EIZ_A_SAMA301_1
(FTSJ)		 3b6v KINESIN-LIKE PROTEIN
KIF3C
(Homo
sapiens) 		3 / 3 ASP A  65
ASP A  36
ASP A  72
 UNX  A1003 (-4.8A)
None
None
 0.60A 1eizA-3b6vA:
undetectable		 1eizA-3b6vA:
17.50
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.
1EJ0_A_SAMA301_0
(FTSJ)		 4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C
(Homo
sapiens) 		5 / 12 ALA A  95
GLY A 120
PRO A 123
GLY A 124
LEU A 142
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.6A)
None
UNX  A1016 ( 2.9A)
SAH  A1001 (-4.2A)
 0.57A 1ej0A-4mtlA:
11.6		 1ej0A-4mtlA:
20.63
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.
1EJ0_A_SAMA301_1
(FTSJ)		 3b6v KINESIN-LIKE PROTEIN
KIF3C
(Homo
sapiens) 		3 / 3 ASP A  65
ASP A  36
ASP A  72
 UNX  A1003 (-4.8A)
None
None
 0.62A 1ej0A-3b6vA:
undetectable		 1ej0A-3b6vA:
17.50
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.
1EKJ_A_ACTA3003_0
(BETA-CARBONIC
ANHYDRASE)		 2rex RHO-RELATED
GTP-BINDING PROTEIN
RHO6
(Homo
sapiens) 		4 / 8 CYH B  24
ASP B  93
CYH B 125
GLY B 124
 GNP  B 500 (-3.9A)
None
UNX  B 554 ( 4.2A)
None
 0.98A 1ekjA-2rexB:
undetectable
1ekjB-2rexB:
3.0		 1ekjA-2rexB:
19.74
1ekjB-2rexB:
19.74
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.
1EQG_A_IBPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4jxt REGULATION OF
NUCLEAR PRE-MRNA
DOMAIN-CONTAINING
PROTEIN 1A
(Homo
sapiens) 		5 / 9 TYR A 117
LEU A 125
ILE A  67
ALA A  63
LEU A  60
 UNX  A 202 ( 4.9A)
None
None
None
None
 1.01A 1eqgA-4jxtA:
undetectable		 1eqgA-4jxtA:
11.62
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.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4jxt REGULATION OF
NUCLEAR PRE-MRNA
DOMAIN-CONTAINING
PROTEIN 1A
(Homo
sapiens) 		5 / 11 TYR A 117
LEU A 125
ILE A  67
ALA A  63
LEU A  60
 UNX  A 202 ( 4.9A)
None
None
None
None
 1.02A 1eqgB-4jxtA:
undetectable		 1eqgB-4jxtA:
11.62
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.
1ERR_B_RALB600_2
(ESTROGEN RECEPTOR)		 3v8d CHOLESTEROL
7-ALPHA-MONOOXYGENAS
E
(Homo
sapiens) 		4 / 6 LEU A 389
MET A 435
LEU A 430
HIS A 395
 None
None
UNX  A 610 ( 4.0A)
None
 1.15A 1errB-3v8dA:
undetectable		 1errB-3v8dA:
20.32
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.
1ETA_2_T442129_1
(TRANSTHYRETIN)		 4lg1 PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D
(Homo
sapiens) 		4 / 5 LYS A 125
LEU A  97
GLU A 128
LEU A 100
 UNX  A 306 (-4.2A)
SAM  A 301 (-4.4A)
None
SAM  A 301 ( 4.8A)
 1.19A 1eta2-4lg1A:
undetectable		 1eta2-4lg1A:
21.62
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.
1ETB_2_T442129_1
(TRANSTHYRETIN)		 4lg1 PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D
(Homo
sapiens) 		4 / 6 LYS A 125
LEU A  97
GLU A 128
THR A 158
 UNX  A 306 (-4.2A)
SAM  A 301 (-4.4A)
None
None
 1.13A 1etb2-4lg1A:
undetectable		 1etb2-4lg1A:
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.
1FDS_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		 4z31 ROQUIN-2
(Homo
sapiens) 		5 / 12 LEU A 201
GLY A 193
PRO A 194
TYR A 273
PHE A 191
 None
UNX  A1001 ( 3.6A)
None
None
None
 1.16A 1fdsA-4z31A:
undetectable		 1fdsA-4z31A:
25.85
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.
1FM6_D_BRLD503_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 4mvt E3 SUMO-PROTEIN
LIGASE PIAS3
(Homo
sapiens) 		4 / 4 ILE A 242
LEU A 147
VAL A 260
ILE A 258
 UNX  A 508 ( 4.6A)
None
None
None
 0.68A 1fm6D-4mvtA:
undetectable		 1fm6D-4mvtA:
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.
1FML_B_RTLB501_0
(RETINOL DEHYDRATASE)		 4iv5 ASPARTATE
CARBAMOYLTRANSFERASE
, PUTATIVE
(Trypanosoma
cruzi) 		5 / 12 ILE A 120
SER A  14
HIS A 141
ILE A 100
PHE A  58
 None
None
UNX  A 402 ( 4.2A)
None
None
 1.11A 1fmlB-4iv5A:
undetectable		 1fmlB-4iv5A:
21.98
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.
1GMK_A_DVAA6_0
(GRAMICIDIN A)		 3qz4 ENDO-1,4-BETA-XYLANA
SE D
(Bacteroides
thetaiotaomicron) 		3 / 3 ALA A 219
VAL A 164
TRP A 179
 UNX  A 334 ( 4.9A)
None
None
 0.55A 1gmkA-3qz4A:
undetectable
1gmkB-3qz4A:
undetectable		 1gmkA-3qz4A:
10.34
1gmkB-3qz4A:
10.34
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.
1GMK_C_DVAC6_0
(GRAMICIDIN A)		 3qz4 ENDO-1,4-BETA-XYLANA
SE D
(Bacteroides
thetaiotaomicron) 		3 / 3 ALA A 219
VAL A 164
TRP A 179
 UNX  A 334 ( 4.9A)
None
None
 0.63A 1gmkC-3qz4A:
undetectable
1gmkD-3qz4A:
undetectable		 1gmkC-3qz4A:
10.34
1gmkD-3qz4A:
10.34
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.
1ITU_A_CILA451_1
(RENAL DIPEPTIDASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 GLU A 187
HIS A 239
HIS A  92
HIS A  94
ASP A 290
 UNX  A 606 ( 2.6A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 3.2A)
UNX  A 608 ( 3.4A)
None
 1.34A 1ituA-3t8lA:
4.0		 1ituA-3t8lA:
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.
1ITU_B_CILB452_1
(RENAL DIPEPTIDASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 GLU A 187
HIS A 239
HIS A  92
HIS A  94
ASP A 290
 UNX  A 606 ( 2.6A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 3.2A)
UNX  A 608 ( 3.4A)
None
 1.34A 1ituB-3t8lA:
4.3		 1ituB-3t8lA:
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.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 THR A  91
HIS A  92
GLU A 258
HIS A 239
GLU A 187
 None
UNX  A 608 ( 3.2A)
None
UNX  A 606 ( 3.6A)
UNX  A 606 ( 2.6A)
 1.25A 1j36A-3t8lA:
undetectable		 1j36A-3t8lA:
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.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 THR A  91
HIS A  92
GLU A 258
HIS A 239
GLU A 187
 None
UNX  A 608 ( 3.2A)
None
UNX  A 606 ( 3.6A)
UNX  A 606 ( 2.6A)
 1.25A 1j36B-3t8lA:
undetectable		 1j36B-3t8lA:
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.
1L7F_A_BCZA801_1
(NEURAMINIDASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		3 / 3 ARG A 187
ARG A  73
ARG A 121
 UNX  A 303 ( 3.2A)
None
UNX  A 303 ( 3.3A)
 0.80A 1l7fA-3innA:
undetectable		 1l7fA-3innA:
18.80
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.
1L7H_A_BCZA801_1
(NEURAMINIDASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		3 / 3 ARG A 187
ARG A  73
ARG A 121
 UNX  A 303 ( 3.2A)
None
UNX  A 303 ( 3.3A)
 0.83A 1l7hA-3innA:
undetectable		 1l7hA-3innA:
18.80
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.
1LIN_A_TFPA156_1
(CALMODULIN)		 1zgh METHIONYL-TRNA
FORMYLTRANSFERASE
(Ruminiclostridiu
m
thermocellum) 		5 / 8 ILE A 136
LEU A 120
MET A  75
ILE A 100
ILE A 137
 None
None
None
UNX  A 244 ( 4.6A)
UNX  A 238 ( 4.0A)
 1.38A 1linA-1zghA:
undetectable		 1linA-1zghA:
21.82
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		 4ege DIPEPTIDASE PEPE
(Mycobacterium
ulcerans) 		4 / 8 GLY A 206
GLU A 179
TYR A 339
HIS A 214
 None
None
None
UNX  A 424 ( 3.2A)
 1.10A 1maaD-4egeA:
undetectable		 1maaD-4egeA:
25.24
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		 5j39 TUDOR AND KH
DOMAIN-CONTAINING
PROTEIN
(Homo
sapiens) 		4 / 8 GLY A 483
TRP A 431
TYR A 491
HIS A 488
 None
UNX  A 504 ( 4.3A)
None
None
 1.08A 1maaD-5j39A:
undetectable		 1maaD-5j39A:
16.58
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.
1MCN_P_DHIP1_0
(IMMUNOGLOBULIN
LAMBDA DIMER MCG
(LIGHT CHAIN)
PEPTIDE
N-ACETYL-D-HIS-L-PRO
-NH2)		 6dub -
(-) 		3 / 3 PHE A 177
TYR A 184
PRO A 179
 UNX  A 307 ( 4.5A)
None
None
 0.50A 1mcnA-6dubA:
undetectable
1mcnB-6dubA:
undetectable
1mcnP-6dubA:
undetectable		 1mcnA-6dubA:
undetectable
1mcnB-6dubA:
undetectable
1mcnP-6dubA:
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.
1MXD_A_ACRA732_1
(ALPHA AMYLASE)		 5wdh KINESIN-LIKE PROTEIN
KIFC1
(Homo
sapiens) 		5 / 9 PRO A 435
GLU A 431
GLY A 432
GLY A 425
GLY A 426
 None
None
None
UNX  A 804 ( 3.2A)
UNX  A 804 ( 4.2A)
 1.19A 1mxdA-5wdhA:
undetectable		 1mxdA-5wdhA:
19.68
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.
1MXD_A_ACRA733_1
(ALPHA AMYLASE)		 2p57 GTPASE-ACTIVATING
PROTEIN ZNF289
(Homo
sapiens) 		4 / 6 SER A  35
THR A  66
ASP A  69
TRP A  72
 UNX  A 204 (-3.2A)
None
None
None
 1.17A 1mxdA-2p57A:
undetectable		 1mxdA-2p57A:
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.
1MXG_A_ACRA443_1
(ALPHA AMYLASE)		 2p57 GTPASE-ACTIVATING
PROTEIN ZNF289
(Homo
sapiens) 		4 / 8 SER A  35
THR A  66
ASP A  69
TRP A  72
 UNX  A 204 (-3.2A)
None
None
None
 1.17A 1mxgA-2p57A:
undetectable		 1mxgA-2p57A:
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.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2hp3 IDS-EPIMERASE
(Agrobacterium
tumefaciens) 		5 / 12 GLY A 156
THR A 154
ALA A 206
GLY A  98
HIS A  85
 None
None
None
UNX  A1201 (-3.3A)
None
 1.29A 1nbiC-2hp3A:
undetectable		 1nbiC-2hp3A:
20.81
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.
1NBI_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2hp3 IDS-EPIMERASE
(Agrobacterium
tumefaciens) 		5 / 12 GLY A 156
THR A 154
ALA A 206
GLY A  98
HIS A  85
 None
None
None
UNX  A1201 (-3.3A)
None
 1.29A 1nbiD-2hp3A:
undetectable		 1nbiD-2hp3A:
20.81
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.
1NNC_A_ZMRA479_1
(NEURAMINIDASE N9)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.28A 1nncA-3lp8A:
undetectable		 1nncA-3lp8A:
21.83
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.
1NW5_A_SAMA401_1
(MODIFICATION
METHYLASE RSRI)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 ASP A 289
HIS A 218
ASP A 238
 UNX  A 608 ( 2.4A)
UNX  A 606 ( 3.2A)
None
 0.86A 1nw5A-3t8lA:
undetectable		 1nw5A-3t8lA:
19.80
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.
1OE1_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 ASP A 120
HIS A 122
HIS A  94
 None
UNX  A 607 ( 3.5A)
UNX  A 608 ( 3.4A)
 0.68A 1oe1A-3t8lA:
undetectable		 1oe1A-3t8lA:
21.40
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.
1OE2_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 GLU A 123
HIS A  94
HIS A 122
 UNX  A 607 ( 1.9A)
UNX  A 608 ( 3.4A)
UNX  A 607 ( 3.5A)
 0.69A 1oe2A-3t8lA:
undetectable		 1oe2A-3t8lA:
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.
1OE3_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 ASP A 120
HIS A 122
HIS A  94
 None
UNX  A 607 ( 3.5A)
UNX  A 608 ( 3.4A)
 0.67A 1oe3A-3t8lA:
undetectable		 1oe3A-3t8lA:
21.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ONI_A_BEZA501_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 1xrg PUTATIVE TRANSLATION
INITIATION
INHIBITOR, YJGF
FAMILY
(Ruminiclostridiu
m
thermocellum) 		4 / 7 TYR A  18
ILE A  34
PRO A 113
GLU A 119
 UNX  A 509 (-3.7A)
None
None
None
 0.51A 1oniA-1xrgA:
24.0
1oniB-1xrgA:
23.9		 1oniA-1xrgA:
44.52
1oniB-1xrgA:
44.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ONI_B_BEZB503_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 1xrg PUTATIVE TRANSLATION
INITIATION
INHIBITOR, YJGF
FAMILY
(Ruminiclostridiu
m
thermocellum) 		4 / 6 TYR A  18
ILE A  34
PRO A 113
GLU A 119
 UNX  A 509 (-3.7A)
None
None
None
 0.48A 1oniB-1xrgA:
23.9
1oniC-1xrgA:
23.9		 1oniB-1xrgA:
44.52
1oniC-1xrgA:
44.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ONI_C_BEZC505_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 1xrg PUTATIVE TRANSLATION
INITIATION
INHIBITOR, YJGF
FAMILY
(Ruminiclostridiu
m
thermocellum) 		4 / 6 TYR A  18
ILE A  34
PRO A 113
GLU A 119
 UNX  A 509 (-3.7A)
None
None
None
 0.46A 1oniA-1xrgA:
24.0
1oniC-1xrgA:
23.9		 1oniA-1xrgA:
44.52
1oniC-1xrgA:
44.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ONI_E_BEZE509_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 1xrg PUTATIVE TRANSLATION
INITIATION
INHIBITOR, YJGF
FAMILY
(Ruminiclostridiu
m
thermocellum) 		4 / 7 TYR A  18
ILE A  34
PRO A 113
GLU A 119
 UNX  A 509 (-3.7A)
None
None
None
 0.53A 1oniD-1xrgA:
24.0
1oniE-1xrgA:
24.2		 1oniD-1xrgA:
44.52
1oniE-1xrgA:
44.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ONI_I_BEZI517_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 1xrg PUTATIVE TRANSLATION
INITIATION
INHIBITOR, YJGF
FAMILY
(Ruminiclostridiu
m
thermocellum) 		4 / 7 TYR A  18
ILE A  34
PRO A 113
GLU A 119
 UNX  A 509 (-3.7A)
None
None
None
 0.47A 1oniG-1xrgA:
23.8
1oniI-1xrgA:
23.8		 1oniG-1xrgA:
44.52
1oniI-1xrgA:
44.52
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.
1PJ7_A_FFOA2887_1
(N,N-DIMETHYLGLYCINE
OXIDASE)		 5tey N6-ADENOSINE-METHYLT
RANSFERASE SUBUNIT
METTL14
(Homo
sapiens) 		3 / 3 ASP B 350
THR B 352
GLU B 192
 None
UNX  B 406 ( 4.6A)
None
 0.87A 1pj7A-5teyB:
undetectable		 1pj7A-5teyB:
18.23
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.
1QKU_A_ESTA600_1
(ESTRADIOL RECEPTOR)		 3cpf EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5A-1
(Homo
sapiens) 		5 / 10 ALA A 145
GLU A 144
LEU A 101
ARG A 109
ILE A 123
 UNX  A   6 ( 3.9A)
UNX  A   5 (-3.9A)
UNX  A   1 (-3.8A)
None
None
 1.48A 1qkuA-3cpfA:
undetectable		 1qkuA-3cpfA:
18.47
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.
1QKU_B_ESTB600_1
(ESTRADIOL RECEPTOR)		 3cpf EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5A-1
(Homo
sapiens) 		5 / 10 ALA A 145
GLU A 144
LEU A 101
ARG A 109
ILE A 123
 UNX  A   6 ( 3.9A)
UNX  A   5 (-3.9A)
UNX  A   1 (-3.8A)
None
None
 1.49A 1qkuB-3cpfA:
undetectable		 1qkuB-3cpfA:
18.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RQJ_A_RISA901_1
(GERANYLTRANSTRANSFER
ASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 11 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 1.03A 1rqjA-4fp4A:
24.7		 1rqjA-4fp4A:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RQJ_A_RISA901_1
(GERANYLTRANSTRANSFER
ASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 11 SER A  82
ASP A  86
ASP A  90
ARG A  95
THR A 163
GLN A 199
 GER  A 301 (-4.5A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
None
None
 0.82A 1rqjA-4fp4A:
24.7		 1rqjA-4fp4A:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RQJ_A_RISA901_1
(GERANYLTRANSTRANSFER
ASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		7 / 11 SER A  82
LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 GER  A 301 (-4.5A)
UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 0.96A 1rqjA-4fp4A:
24.7		 1rqjA-4fp4A:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RQJ_B_RISB903_1
(GERANYLTRANSTRANSFER
ASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		7 / 11 SER A  82
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 GER  A 301 (-4.5A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.07A 1rqjB-4fp4A:
24.8		 1rqjB-4fp4A:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RQJ_B_RISB903_1
(GERANYLTRANSTRANSFER
ASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		7 / 11 SER A  82
LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 GER  A 301 (-4.5A)
UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 0.96A 1rqjB-4fp4A:
24.8		 1rqjB-4fp4A:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S2A_A_IMNA2001_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		5 / 12 TRP A  73
HIS A 104
GLU A 179
TYR A 203
SER A 204
 None
UNX  A 402 (-4.1A)
None
NAP  A 400 (-3.2A)
NAP  A 400 (-2.6A)
 0.27A 1s2aA-3krbA:
39.8		 1s2aA-3krbA:
35.86
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.
1SG9_C_SAMC303_0
(HEMK PROTEIN)		 3eo3 BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE
(Homo
sapiens) 		5 / 12 PRO A 704
GLY A 708
ALA A 521
VAL A 713
ALA A 411
 UNX  A   2 ( 3.9A)
None
None
None
None
 1.13A 1sg9C-3eo3A:
undetectable		 1sg9C-3eo3A:
24.22
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.
1T87_B_CAMB2422_0
(CYTOCHROME P450-CAM)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		4 / 7 THR A 199
VAL A 193
VAL A 321
ILE A 322
 None
None
None
UNX  A 502 ( 4.8A)
 0.88A 1t87B-3smtA:
undetectable		 1t87B-3smtA:
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.
1TV8_A_SAMA1501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 5vbf NAD-DEPENDENT
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(Burkholderia
vietnamiensis) 		4 / 7 TYR A   9
GLU A 109
SER A 186
VAL A  31
 None
None
UNX  A 604 ( 4.1A)
None
 1.22A 1tv8A-5vbfA:
undetectable		 1tv8A-5vbfA:
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
ASP A 478
HIS A 477
HIS A  94
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 2.6A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
 1.32A 1v7zC-3t8lA:
undetectable		 1v7zC-3t8lA:
18.95
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
HIS A 477
HIS A  94
GLU A 187
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 2.6A)
 1.38A 1v7zC-3t8lA:
undetectable		 1v7zC-3t8lA:
18.95
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
ASP A 478
HIS A 477
HIS A  94
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 2.6A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
 1.30A 1v7zE-3t8lA:
undetectable		 1v7zE-3t8lA:
18.95
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
HIS A 477
HIS A  94
GLU A 187
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 2.6A)
 1.37A 1v7zE-3t8lA:
undetectable		 1v7zE-3t8lA:
18.95
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
ASP A 478
HIS A 477
HIS A  94
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 2.6A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
 1.30A 1v7zF-3t8lA:
undetectable		 1v7zF-3t8lA:
18.95
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
HIS A 477
HIS A  94
GLU A 187
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 2.6A)
 1.37A 1v7zF-3t8lA:
undetectable		 1v7zF-3t8lA:
18.95
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.
1V8B_D_ADND3502_1
(ADENOSYLHOMOCYSTEINA
SE)		 4mvt E3 SUMO-PROTEIN
LIGASE PIAS3
(Homo
sapiens) 		5 / 12 LEU A 353
ASP A 350
THR A 335
LEU A 286
GLY A 283
 None
None
None
None
UNX  A 512 ( 3.7A)
 1.42A 1v8bD-4mvtA:
undetectable		 1v8bD-4mvtA:
20.60
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.
1X1A_A_SAMA4264_0
(CRTF-RELATED PROTEIN)		 2olm NUCLEOPORIN-LIKE
PROTEIN RIP
(Homo
sapiens) 		5 / 12 GLU A  87
ALA A 133
GLY A  85
ILE A  92
LEU A  23
 None
None
None
UNX  A1005 ( 4.7A)
None
 1.12A 1x1aA-2olmA:
undetectable		 1x1aA-2olmA:
15.36
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.
1X7P_A_SAMA301_0
(RRNA
METHYLTRANSFERASE)		 4rg1 C9ORF114
(Homo
sapiens) 		5 / 11 THR A 289
GLU A 291
GLY A 312
GLY A 316
ALA A 356
 SAH  A 401 (-3.8A)
UNX  A 405 (-4.1A)
SAH  A 401 (-3.1A)
SAH  A 401 (-3.3A)
SAH  A 401 (-3.4A)
 0.34A 1x7pA-4rg1A:
11.1
1x7pB-4rg1A:
11.3		 1x7pA-4rg1A:
24.70
1x7pB-4rg1A:
24.70
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.
1X7P_B_SAMB302_0
(RRNA
METHYLTRANSFERASE)		 4rg1 C9ORF114
(Homo
sapiens) 		5 / 10 THR A 289
GLU A 291
GLY A 312
GLY A 316
ALA A 356
 SAH  A 401 (-3.8A)
UNX  A 405 (-4.1A)
SAH  A 401 (-3.1A)
SAH  A 401 (-3.3A)
SAH  A 401 (-3.4A)
 0.96A 1x7pA-4rg1A:
11.3
1x7pB-4rg1A:
11.1		 1x7pA-4rg1A:
24.70
1x7pB-4rg1A:
24.70
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.
1XDK_F_9CRF1600_1
(RETINOIC ACID
RECEPTOR, BETA)		 3b6v KINESIN-LIKE PROTEIN
KIF3C
(Homo
sapiens) 		5 / 12 CYH A  17
LEU A  44
LEU A  33
ILE A  32
LEU A 356
 UNX  A1003 ( 4.6A)
None
None
None
None
 0.86A 1xdkF-3b6vA:
undetectable		 1xdkF-3b6vA:
22.89
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.
1XOS_A_VIAA1_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 2iv2 FORMATE
DEHYDROGENASE H
(Escherichia
coli) 		5 / 12 HIS X 149
ASP X 349
LEU X 347
MET X 297
GLN X 339
 None
None
None
UNX  X 804 (-3.8A)
None
 1.34A 1xosA-2iv2X:
undetectable		 1xosA-2iv2X:
18.66
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.
1XVA_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		 4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C
(Homo
sapiens) 		4 / 5 ILE A 128
LEU A 149
ALA A 139
GLU A 118
 None
None
None
UNX  A1016 ( 2.6A)
 1.35A 1xvaA-4mtlA:
13.3
1xvaB-4mtlA:
13.1		 1xvaA-4mtlA:
24.28
1xvaB-4mtlA:
24.28
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.
1XVA_B_ACTB294_0
(GLYCINE
N-METHYLTRANSFERASE)		 4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C
(Homo
sapiens) 		4 / 6 ALA A 139
GLU A 118
ILE A 116
LEU A 153
 None
UNX  A1016 ( 2.6A)
None
None
 1.02A 1xvaA-4mtlA:
13.3
1xvaB-4mtlA:
13.1		 1xvaA-4mtlA:
24.28
1xvaB-4mtlA:
24.28
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.
1YAJ_K_BEZK4387_0
(CES1 PROTEIN)		 3fzy RTX TOXIN RTXA
(Vibrio
cholerae) 		3 / 3 TRP A3633
LEU A3592
LYS A3559
 UNX  A 323 (-3.9A)
None
None
 1.19A 1yajK-3fzyA:
undetectable		 1yajK-3fzyA:
18.15
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.
1YHL_A_RISA1400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 11 ASP A  86
ASP A  90
ARG A  95
GLN A 147
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 1.05A 1yhlA-4fp4A:
21.2		 1yhlA-4fp4A:
23.83
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.
1YHL_A_RISA1400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 11 ASP A  86
ASP A  90
ARG A  95
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
None
None
 0.78A 1yhlA-4fp4A:
21.2		 1yhlA-4fp4A:
23.83
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.
1YHL_A_RISA1400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 11 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.05A 1yhlA-4fp4A:
21.2		 1yhlA-4fp4A:
23.83
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.
1YQ7_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 11 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
None
 1.07A 1yq7A-4fp4A:
20.4		 1yq7A-4fp4A:
24.02
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.
1YQ7_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 11 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.05A 1yq7A-4fp4A:
20.4		 1yq7A-4fp4A:
24.02
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.
1YV5_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 0.99A 1yv5A-4fp4A:
20.6		 1yv5A-4fp4A:
24.02
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.
1YV5_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.14A 1yv5A-4fp4A:
20.6		 1yv5A-4fp4A:
24.02
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.
1YV5_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.03A 1yv5A-4fp4A:
20.6		 1yv5A-4fp4A:
24.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YVM_A_TMGA501_1
(METHIONINE
AMINOPEPTIDASE)		 4fuk METHIONINE
AMINOPEPTIDASE
(Trypanosoma
brucei) 		5 / 7 TYR A 177
CYH A 185
HIS A 194
HIS A 292
TRP A 335
 None
UNX  A 404 ( 3.8A)
None
None
None
 0.73A 1yvmA-4fukA:
36.5		 1yvmA-4fukA:
35.80
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.
1ZGY_A_BRLA503_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 3u12 USP37 PROTEIN
(Homo
sapiens) 		4 / 5 ILE A  29
ILE A  12
ILE A   6
MET A  95
 None
None
UNX  A1019 ( 4.3A)
None
 0.90A 1zgyA-3u12A:
undetectable		 1zgyA-3u12A:
19.71
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.
1ZW5_A_ZOLA901_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 1.01A 1zw5A-4fp4A:
20.3		 1zw5A-4fp4A:
24.73
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.
1ZW5_A_ZOLA901_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 9 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.20A 1zw5A-4fp4A:
20.3		 1zw5A-4fp4A:
24.73
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.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		 3p1j GTPASE IMAP FAMILY
MEMBER 2
(Homo
sapiens) 		4 / 8 THR A 141
GLY A 176
ALA A 174
VAL A 129
 None
UNX  A   1 ( 4.0A)
None
None
 0.78A 2a1hA-3p1jA:
undetectable
2a1hB-3p1jA:
undetectable		 2a1hA-3p1jA:
24.02
2a1hB-3p1jA:
24.02
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.
2A1H_B_GBNB501_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		 3p1j GTPASE IMAP FAMILY
MEMBER 2
(Homo
sapiens) 		4 / 8 VAL A 129
THR A 141
GLY A 176
ALA A 174
 None
None
UNX  A   1 ( 4.0A)
None
 0.77A 2a1hA-3p1jA:
undetectable
2a1hB-3p1jA:
undetectable		 2a1hA-3p1jA:
24.02
2a1hB-3p1jA:
24.02
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.
2A3B_B_CFFB2434_1
(CHITINASE)		 4zgc KELCH PROTEIN
(Plasmodium
falciparum) 		4 / 6 GLU A 431
TYR A 435
ASP A 397
PHE A 395
 None
None
None
UNX  A 809 ( 3.8A)
 1.35A 2a3bB-4zgcA:
undetectable		 2a3bB-4zgcA:
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.
2AOW_A_THAA400_1
(HISTAMINE
N-METHYLTRANSFERASE)		 1yem CONSERVED
HYPOTHETICAL PROTEIN
PFU-838710-001
(Pyrococcus
furiosus) 		4 / 7 GLU A  29
GLN A  31
TYR A 159
GLU A   4
 None
None
UNX  A 202 ( 4.5A)
UNX  A 204 ( 4.9A)
 1.01A 2aowA-1yemA:
undetectable		 2aowA-1yemA:
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.
2AOX_B_THAB401_1
(HISTAMINE
N-METHYLTRANSFERASE)		 3nwn KINESIN-LIKE PROTEIN
KIF9
(Homo
sapiens) 		4 / 7 PHE A 192
GLU A 188
GLN A 121
TYR A  70
 None
UNX  A1007 ( 4.8A)
None
None
 1.38A 2aoxB-3nwnA:
2.2		 2aoxB-3nwnA:
22.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		 2w2j CARBONIC
ANHYDRASE-RELATED
PROTEIN
(Homo
sapiens) 		5 / 12 ILE A 153
HIS A 118
LEU A 222
THR A 223
TRP A 233
 UNX  A 603 ( 4.9A)
CL  A 401 (-4.2A)
None
CL  A 401 ( 4.8A)
None
 0.93A 2aw1A-2w2jA:
37.4		 2aw1A-2w2jA:
38.72
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.
2AYL_B_FLPB2701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4jxt REGULATION OF
NUCLEAR PRE-MRNA
DOMAIN-CONTAINING
PROTEIN 1A
(Homo
sapiens) 		5 / 12 TYR A 117
LEU A 125
ILE A  67
ALA A  63
LEU A  60
 UNX  A 202 ( 4.9A)
None
None
None
None
 1.05A 2aylB-4jxtA:
undetectable		 2aylB-4jxtA:
12.84
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.
2B17_A_DIFA701_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 5w9q METHYL-CPG-BINDING
DOMAIN PROTEIN 1
(Homo
sapiens) 		5 / 10 LEU A 386
ALA A 343
CYH A 372
CYH A 353
ASP A 354
 None
None
ZN  A1001 (-2.2A)
ZN  A1001 (-2.2A)
UNX  A1007 ( 3.9A)
 1.42A 2b17A-5w9qA:
undetectable		 2b17A-5w9qA:
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.
2BR4_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4lg1 PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D
(Homo
sapiens) 		5 / 12 LEU A  20
CYH A 172
ASP A  44
ALA A  45
ALA A 143
 None
None
UNX  A 311 ( 3.8A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.4A)
 1.13A 2br4A-4lg1A:
7.9		 2br4A-4lg1A:
20.47
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.
2BR4_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4lg1 PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D
(Homo
sapiens) 		5 / 12 TYR A 210
CYH A 172
ASP A  44
ALA A  45
ALA A 143
 None
None
UNX  A 311 ( 3.8A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.4A)
 1.10A 2br4A-4lg1A:
7.9		 2br4A-4lg1A:
20.47
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.
2BR4_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4lg1 PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D
(Homo
sapiens) 		5 / 12 TYR A 210
CYH A 172
ASP A  44
ALA A  45
ALA A 143
 None
None
UNX  A 311 ( 3.8A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.4A)
 1.11A 2br4B-4lg1A:
8.5		 2br4B-4lg1A:
20.47
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.
2BXP_A_P1ZA3001_1
(SERUM ALBUMIN)		 3u12 USP37 PROTEIN
(Homo
sapiens) 		5 / 12 LEU A  38
LEU A  74
LEU A  72
ALA A  92
ILE A   6
 None
None
None
None
UNX  A1019 ( 4.3A)
 1.09A 2bxpA-3u12A:
undetectable		 2bxpA-3u12A:
11.28
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.
2C8A_A_NCAA1252_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 4fk7 PUTATIVE
ADP-RIBOSYLTRANSFERA
SE CERTHRAX
(Bacillus
cereus) 		5 / 7 ARG A 341
SER A 387
SER A 389
GLN A 429
GLU A 431
 P34  A1001 (-3.6A)
P34  A1001 (-4.0A)
P34  A1001 (-3.1A)
UNX  A1011 ( 3.4A)
P34  A1001 (-3.9A)
 0.58A 2c8aA-4fk7A:
24.6		 2c8aA-4fk7A:
27.66
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.
2CML_A_ZMRA1477_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.28A 2cmlA-3lp8A:
undetectable		 2cmlA-3lp8A:
23.13
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.
2CML_B_ZMRB2477_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.28A 2cmlB-3lp8A:
undetectable		 2cmlB-3lp8A:
23.13
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.
2CML_C_ZMRC3477_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.26A 2cmlC-3lp8A:
undetectable		 2cmlC-3lp8A:
23.13
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.
2CML_D_ZMRD4477_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.32A 2cmlD-3lp8A:
undetectable		 2cmlD-3lp8A:
23.13
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.
2E91_A_ZOLA901_1
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 0.97A 2e91A-4fp4A:
16.2		 2e91A-4fp4A:
28.49
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.
2E91_A_ZOLA901_1
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.07A 2e91A-4fp4A:
16.2		 2e91A-4fp4A:
28.49
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.
2E91_A_ZOLA901_1
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
None
None
 0.84A 2e91A-4fp4A:
16.2		 2e91A-4fp4A:
28.49
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.
2E91_B_ZOLB902_1
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 9 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
None
 1.03A 2e91B-4fp4A:
15.3		 2e91B-4fp4A:
28.49
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.
2E91_B_ZOLB902_1
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.13A 2e91B-4fp4A:
15.3		 2e91B-4fp4A:
28.49
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.
2F16_K_BO2K1402_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)		 1jqk CARBON MONOXIDE
DEHYDROGENASE
(Rhodospirillum
rubrum) 		5 / 10 THR A  92
ALA A  90
ALA A  94
GLY A 573
ALA A 569
 None
None
None
None
UNX  A 802 ( 4.6A)
 1.05A 2f16K-1jqkA:
undetectable
2f16L-1jqkA:
undetectable		 2f16K-1jqkA:
14.75
2f16L-1jqkA:
18.23
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.
2F16_Y_BO2Y1403_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)		 1jqk CARBON MONOXIDE
DEHYDROGENASE
(Rhodospirillum
rubrum) 		5 / 10 THR A  92
ALA A  90
ALA A  94
GLY A 573
ALA A 569
 None
None
None
None
UNX  A 802 ( 4.6A)
 1.05A 2f16Y-1jqkA:
undetectable
2f16Z-1jqkA:
undetectable		 2f16Y-1jqkA:
14.75
2f16Z-1jqkA:
18.23
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.
2F89_F_210F9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 9 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.14A 2f89F-4fp4A:
18.0		 2f89F-4fp4A:
24.73
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.
2F8C_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 11 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
None
 1.06A 2f8cF-4fp4A:
21.0		 2f8cF-4fp4A:
24.73
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.
2F8C_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 11 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.16A 2f8cF-4fp4A:
21.0		 2f8cF-4fp4A:
24.73
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.
2F8C_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 11 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.05A 2f8cF-4fp4A:
21.0		 2f8cF-4fp4A:
24.73
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.
2F8Z_F_ZOLF5001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
None
 1.09A 2f8zF-4fp4A:
20.9		 2f8zF-4fp4A:
24.73
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.
2F8Z_F_ZOLF5001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.17A 2f8zF-4fp4A:
20.9		 2f8zF-4fp4A:
24.73
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.
2F8Z_F_ZOLF5001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.09A 2f8zF-4fp4A:
20.9		 2f8zF-4fp4A:
24.73
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.
2F94_F_BFQF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 12 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
None
 0.89A 2f94F-4fp4A:
20.8		 2f94F-4fp4A:
24.73
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.
2F94_F_BFQF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 12 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.13A 2f94F-4fp4A:
20.8		 2f94F-4fp4A:
24.73
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.
2F94_F_BFQF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 12 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.00A 2f94F-4fp4A:
20.8		 2f94F-4fp4A:
24.73
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.
2F9K_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
None
 1.04A 2f9kF-4fp4A:
20.6		 2f9kF-4fp4A:
24.73
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.
2F9K_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.15A 2f9kF-4fp4A:
20.6		 2f9kF-4fp4A:
24.73
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.
2F9K_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.08A 2f9kF-4fp4A:
20.6		 2f9kF-4fp4A:
24.73
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		 3gbj KIF13B PROTEIN
(Homo
sapiens) 		4 / 8 HIS A 223
VAL A 225
VAL A 252
LEU A 314
 UNX  A   1 ( 4.6A)
None
None
None
 0.91A 2gehA-3gbjA:
undetectable		 2gehA-3gbjA:
21.27
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.
2HRC_A_CHDA702_0
(FERROCHELATASE)		 2iv2 FORMATE
DEHYDROGENASE H
(Escherichia
coli) 		4 / 7 PRO X 331
VAL X 309
MET X 297
TRP X 295
 None
None
UNX  X 804 (-3.8A)
None
 1.06A 2hrcA-2iv2X:
undetectable		 2hrcA-2iv2X:
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.
2HTU_A_BCZA801_1
(NEURAMINIDASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 4 ARG A 260
ASP A 290
GLU A 187
ARG A 220
 None
None
UNX  A 606 ( 2.6A)
None
 1.44A 2htuA-3t8lA:
undetectable		 2htuA-3t8lA:
21.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2INE_A_PACA317_0
(ALDOSE REDUCTASE)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		5 / 5 TRP A  12
VAL A  39
TYR A  40
HIS A 104
TRP A 105
 UNX  A 402 (-4.3A)
None
UNX  A 402 (-4.4A)
UNX  A 402 (-4.1A)
NAP  A 400 ( 4.3A)
 0.21A 2ineA-3krbA:
41.1		 2ineA-3krbA:
40.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ISF_A_PACA317_0
(ALDOSE REDUCTASE)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		5 / 5 TRP A  12
VAL A  39
TYR A  40
HIS A 104
TRP A 105
 UNX  A 402 (-4.3A)
None
UNX  A 402 (-4.4A)
UNX  A 402 (-4.1A)
NAP  A 400 ( 4.3A)
 0.24A 2isfA-3krbA:
40.9		 2isfA-3krbA:
40.83
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.
2KUH_A_HLTA150_1
(CALMODULIN)		 3dlj BETA-ALA-HIS
DIPEPTIDASE
(Homo
sapiens) 		4 / 6 LEU A 107
MET A  52
LEU A  48
GLU A 173
 None
None
None
UNX  A2004 ( 3.2A)
 1.23A 2kuhA-3dljA:
undetectable		 2kuhA-3dljA:
8.90
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.
2LH8_A_VIBA1_1
(MAJOR PRION PROTEIN)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		4 / 6 PRO A 165
HIS A  79
ASP A  87
ASP A  86
 None
UNL  A 303 ( 4.1A)
None
UNX  A 302 ( 2.6A)
 1.40A 2lh8A-4fp4A:
undetectable		 2lh8A-4fp4A:
15.09
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.
2NNH_B_9CRB502_1
(CYTOCHROME P450 2C8)		 6dub -
(-) 		5 / 10 SER A 252
ILE A 249
LEU A 220
VAL A 192
ILE A 187
 None
None
UNX  A 316 ( 4.8A)
UNX  A 316 ( 4.3A)
None
 1.11A 2nnhB-6dubA:
undetectable		 2nnhB-6dubA:
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		 2a4k 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE
(Thermus
thermophilus) 		5 / 12 SER A  16
ASN A 111
VAL A 213
ALA A 214
VAL A 133
 None
UNX  A 276 (-3.8A)
None
None
None
 0.98A 2nniA-2a4kA:
undetectable		 2nniA-2a4kA:
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.
2O1O_A_RISA400_1
(PUTATIVE FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 9 ASP A  86
ASP A  90
ARG A  95
GLN A 147
LYS A 162
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
GER  A 301 ( 4.8A)
None
 1.16A 2o1oA-4fp4A:
20.1		 2o1oA-4fp4A:
25.97
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.
2O1O_A_RISA400_1
(PUTATIVE FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 9 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.00A 2o1oA-4fp4A:
20.1		 2o1oA-4fp4A:
25.97
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.
2O1O_B_RISB400_1
(PUTATIVE FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 ASP A  86
ASP A  90
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
GER  A 301 ( 4.8A)
None
None
 1.23A 2o1oB-4fp4A:
18.0		 2o1oB-4fp4A:
25.97
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.
2O1O_B_RISB400_1
(PUTATIVE FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.09A 2o1oB-4fp4A:
18.0		 2o1oB-4fp4A:
25.97
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.
2OIQ_A_STIA1001_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 3md0 ARGININE/ORNITHINE
TRANSPORT SYSTEM
ATPASE
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 250
VAL A 263
LEU A 264
ARG A 236
 None
None
None
UNX  A 339 ( 3.6A)
 1.06A 2oiqA-3md0A:
undetectable		 2oiqA-3md0A:
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.
2OPX_A_DXCA1003_0
(ALDEHYDE
DEHYDROGENASE A)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		4 / 5 ILE A  52
LEU A  81
ALA A 224
PHE A 380
 None
None
UNX  A   2 ( 3.7A)
None
 0.95A 2opxA-3c6gA:
undetectable		 2opxA-3c6gA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_C_SAMC300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 2d1g ACID PHOSPHATASE
(Francisella
tularensis) 		4 / 4 SER A 192
GLY A 195
HIS A 287
ASP A 387
 None
None
VO4  A 801 (-3.6A)
UNX  A 601 ( 2.6A)
 1.22A 2oxtC-2d1gA:
undetectable		 2oxtC-2d1gA:
17.59
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.
2P2F_A_ACTA653_0
(ACETYL-COENZYME A
SYNTHETASE)		 4rcm METHYLATED
RNA-BINDING PROTEIN
1
(Saccharomyces
cerevisiae) 		4 / 5 VAL A 168
VAL A 243
GLY A 175
TRP A 245
 None
None
UNX  A 405 ( 4.2A)
None
 1.11A 2p2fA-4rcmA:
undetectable		 2p2fA-4rcmA:
14.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		5 / 12 HIS A  55
GLY A 213
GLU A 242
SER A 293
ASP A 323
 CO  A1000 (-3.3A)
None
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
 1.29A 2pgfA-2amxA:
56.9		 2pgfA-2amxA:
69.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		8 / 12 HIS A  57
ASP A  59
GLY A 213
GLU A 242
HIS A 266
SER A 293
ASP A 323
ASP A 324
 CO  A1000 (-3.2A)
None
None
UNX  A2004 ( 4.8A)
None
None
CO  A1000 (-2.7A)
None
 0.89A 2pgfA-2amxA:
56.9		 2pgfA-2amxA:
69.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		10 / 12 HIS A  57
ASP A  59
ILE A 183
GLY A 214
HIS A 239
GLU A 242
HIS A 266
SER A 293
ASP A 323
ASP A 324
 CO  A1000 (-3.2A)
None
None
None
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
None
CO  A1000 (-2.7A)
None
 0.32A 2pgfA-2amxA:
56.9		 2pgfA-2amxA:
69.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		10 / 12 HIS A  57
ASP A  59
PHE A 101
ILE A 183
HIS A 239
GLU A 242
HIS A 266
SER A 293
ASP A 323
ASP A 324
 CO  A1000 (-3.2A)
None
UNX  A2004 ( 4.8A)
None
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
None
CO  A1000 (-2.7A)
None
 0.44A 2pgfA-2amxA:
56.9		 2pgfA-2amxA:
69.68
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.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 0.99A 2pgfA-3t8lA:
15.6		 2pgfA-3t8lA:
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.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		 4ege DIPEPTIDASE PEPE
(Mycobacterium
ulcerans) 		5 / 12 PHE A 200
ILE A 351
HIS A 306
HIS A 313
ASP A 230
 None
None
ZN  A 411 (-3.3A)
UNX  A 421 ( 4.9A)
ZN  A 412 (-2.1A)
 1.39A 2pgfA-4egeA:
undetectable		 2pgfA-4egeA:
20.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		10 / 12 HIS A  55
HIS A  57
ASP A  59
ILE A 183
GLY A 214
HIS A 239
GLU A 242
HIS A 266
ASP A 323
ASP A 324
 CO  A1000 (-3.3A)
CO  A1000 (-3.2A)
None
None
None
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.29A 2pgrA-2amxA:
56.9		 2pgrA-2amxA:
69.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		10 / 12 HIS A  55
HIS A  57
ASP A  59
PHE A 101
ILE A 183
HIS A 239
GLU A 242
HIS A 266
ASP A 323
ASP A 324
 CO  A1000 (-3.3A)
CO  A1000 (-3.2A)
None
UNX  A2004 ( 4.8A)
None
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.46A 2pgrA-2amxA:
56.9		 2pgrA-2amxA:
69.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		7 / 12 HIS A  57
ASP A  59
GLY A 213
GLU A 242
HIS A 266
ASP A 323
ASP A 324
 CO  A1000 (-3.2A)
None
None
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.86A 2pgrA-2amxA:
56.9		 2pgrA-2amxA:
69.68
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.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		6 / 12 HIS A  92
HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.2A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 0.97A 2pgrA-3t8lA:
15.5		 2pgrA-3t8lA:
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 3s4y THIAMIN
PYROPHOSPHOKINASE 1
(Homo
sapiens) 		5 / 12 GLY A 126
GLY A 127
ALA A 137
GLN A 134
GLY A 130
 None
None
None
TPP  A1301 ( 3.6A)
UNX  A 249 ( 3.5A)
 0.99A 2pkkA-3s4yA:
undetectable		 2pkkA-3s4yA:
21.66
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.
2PLW_A_SAMA203_0
(RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE)		 4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C
(Homo
sapiens) 		5 / 12 ALA A  95
GLY A 120
PRO A 123
GLY A 124
LEU A 205
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.6A)
None
UNX  A1016 ( 2.9A)
None
 0.98A 2plwA-4mtlA:
12.2		 2plwA-4mtlA:
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.
2Q58_A_ZOLA1_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.16A 2q58A-4fp4A:
20.0		 2q58A-4fp4A:
25.97
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.
2Q58_A_ZOLA1_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 ASP A  86
ASP A  90
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
GER  A 301 ( 4.8A)
None
None
 1.31A 2q58A-4fp4A:
20.0		 2q58A-4fp4A:
25.97
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.
2Q58_B_ZOLB2_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.06A 2q58B-4fp4A:
18.0		 2q58B-4fp4A:
25.97
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.
2Q58_B_ZOLB2_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
GER  A 301 ( 4.8A)
None
None
 1.21A 2q58B-4fp4A:
18.0		 2q58B-4fp4A:
25.97
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.
2QBM_A_CAMA517_0
(CYTOCHROME P450-CAM)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		4 / 8 THR A 199
VAL A 193
VAL A 321
ILE A 322
 None
None
None
UNX  A 502 ( 4.8A)
 0.87A 2qbmA-3smtA:
undetectable		 2qbmA-3smtA:
20.27
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.
2QD3_A_CHDA502_0
(FERROCHELATASE)		 2iv2 FORMATE
DEHYDROGENASE H
(Escherichia
coli) 		4 / 8 PRO X 331
VAL X 309
MET X 297
TRP X 295
 None
None
UNX  X 804 (-3.8A)
None
 1.02A 2qd3A-2iv2X:
undetectable		 2qd3A-2iv2X:
18.86
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.
2QIS_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 ASP A  86
ASP A  90
ARG A  95
GLN A 147
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 1.06A 2qisA-4fp4A:
20.9		 2qisA-4fp4A:
23.44
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.
2QIS_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 ASP A  86
ASP A  90
ARG A  95
LYS A 162
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.20A 2qisA-4fp4A:
20.9		 2qisA-4fp4A:
23.44
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.
2QIS_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
 1.13A 2qisA-4fp4A:
20.9		 2qisA-4fp4A:
23.44
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		 5vei SORBIN AND SH3
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		4 / 6 PHE A 874
PHE A 884
GLY A 910
GLY A 903
 UNX  A1001 ( 4.6A)
None
None
None
 0.97A 2qr2A-5veiA:
undetectable
2qr2B-5veiA:
undetectable		 2qr2A-5veiA:
17.33
2qr2B-5veiA:
17.33
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.
2QR2_B_VK3B236_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		 5vei SORBIN AND SH3
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		4 / 5 GLY A 910
GLY A 903
PHE A 874
PHE A 884
 None
None
UNX  A1001 ( 4.6A)
None
 1.04A 2qr2A-5veiA:
undetectable
2qr2B-5veiA:
undetectable		 2qr2A-5veiA:
17.33
2qr2B-5veiA:
17.33
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.
2RIW_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		 2qq8 TBC1 DOMAIN FAMILY
MEMBER 14
(Homo
sapiens) 		5 / 10 ALA A 641
LEU A 580
LEU A 634
LEU A 610
LYS A 609
 None
None
None
UNX  A 202 ( 4.2A)
None
 1.14A 2riwA-2qq8A:
undetectable
2riwB-2qq8A:
undetectable		 2riwA-2qq8A:
22.11
2riwB-2qq8A:
7.98
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.
2RIW_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		 3hzj RAB
GTPASE-ACTIVATING
PROTEIN 1-LIKE
(Homo
sapiens) 		5 / 10 ALA A 696
LEU A 678
LEU A 733
LEU A 670
LEU A 736
 None
UNX  A 908 ( 4.7A)
None
None
None
 1.17A 2riwA-3hzjA:
undetectable
2riwB-3hzjA:
undetectable		 2riwA-3hzjA:
20.22
2riwB-3hzjA:
8.94
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.
2UYQ_A_SAMA1311_0
(HYPOTHETICAL PROTEIN
ML2640)		 2hp3 IDS-EPIMERASE
(Agrobacterium
tumefaciens) 		4 / 7 GLY A 373
VAL A 306
ASP A 379
ARG A 392
 UNX  A1212 ( 3.6A)
None
None
EDO  A1005 (-4.2A)
 0.67A 2uyqA-2hp3A:
undetectable		 2uyqA-2hp3A:
25.65
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.
2UZ2_A_ACTA1123_0
(XENAVIDIN)		 3nwn KINESIN-LIKE PROTEIN
KIF9
(Homo
sapiens) 		4 / 7 LEU A 142
SER A 140
TYR A 223
THR A 221
 UNX  A1005 ( 4.4A)
UNX  A1005 ( 2.9A)
None
UNX  A1005 ( 3.9A)
 0.95A 2uz2A-3nwnA:
undetectable		 2uz2A-3nwnA:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCD_A_RAPA138_1
(OUTER MEMBRANE
PROTEIN MIP)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		5 / 11 TYR A  40
ASP A  35
VAL A  19
ILE A  46
VAL A  66
 UNX  A 402 (-4.4A)
NAP  A 400 (-3.7A)
None
None
None
 1.41A 2vcdA-3krbA:
undetectable		 2vcdA-3krbA:
18.95
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.
2VDY_A_HCYA1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 5wde KINESIN-LIKE PROTEIN
KIFC3
(Homo
sapiens) 		5 / 12 SER A 746
VAL A 452
ILE A 479
SER A 489
PHE A 471
 None
None
None
UNX  A 920 ( 4.4A)
None
 1.33A 2vdyA-5wdeA:
undetectable		 2vdyA-5wdeA:
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.
2VN1_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 2nzt HEXOKINASE-2
(Homo
sapiens) 		4 / 6 SER A 269
PHE A 264
ASP A 267
GLU A  38
 None
None
UNX  A   1 (-3.2A)
None
 1.23A 2vn1B-2nztA:
undetectable		 2vn1B-2nztA:
9.01
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.
2W98_A_P1ZA1351_1
(PROSTAGLANDIN
REDUCTASE 2)		 6cd8 GLUCOSE-INDUCED
DEGRADATION PROTEIN
4 HOMOLOG
(Homo
sapiens) 		5 / 10 ILE A 260
PHE A 128
LEU A 155
VAL A 148
LEU A 145
 None
None
None
UNX  A 303 ( 4.6A)
None
 1.42A 2w98A-6cd8A:
undetectable		 2w98A-6cd8A:
13.12
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.
2WA2_B_SAMB1267_1
(NON-STRUCTURAL
PROTEIN 5)		 4yvd PLEIOTROPIC
REGULATOR 1
(Homo
sapiens) 		3 / 3 SER A 404
HIS A 381
ASP A 440
 CL  A 606 (-2.9A)
UNX  A 607 ( 4.6A)
None
 0.53A 2wa2B-4yvdA:
undetectable		 2wa2B-4yvdA:
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.
2WLK_B_SPMB1302_1
(ATP-SENSITIVE INWARD
RECTIFIER POTASSIUM
CHANNEL 10)		 3pnw TUDOR
DOMAIN-CONTAINING
PROTEIN 3
(Homo
sapiens) 		4 / 4 ALA C 564
TYR C 566
ALA C 575
TYR C 573
 None
UNX  C1855 ( 4.1A)
None
None
 1.19A 2wlkA-3pnwC:
undetectable
2wlkB-3pnwC:
undetectable		 2wlkA-3pnwC:
12.76
2wlkB-3pnwC:
12.76
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.
2X2I_A_QPSA1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 4l1m E3 UBIQUITIN-PROTEIN
LIGASE HERC2
(Homo
sapiens) 		5 / 12 PHE A 463
SER A 479
THR A 481
TRP A 433
GLY A 447
 None
UNX  A 807 ( 3.1A)
None
None
None
 1.23A 2x2iA-4l1mA:
undetectable		 2x2iA-4l1mA:
16.40
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.
2X45_C_HSMC1161_1
(ALLERGEN ARG R 1)		 5c4q BROMODOMAIN
(Leishmania
donovani) 		4 / 5 VAL A  48
TYR A  45
VAL A  36
ASP A  53
 None
UNX  A 203 ( 4.4A)
BMF  A 201 (-4.6A)
None
 1.31A 2x45C-5c4qA:
undetectable		 2x45C-5c4qA:
18.59
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		 1fgg GLUCURONYLTRANSFERAS
E I
(Homo
sapiens) 		4 / 6 HIS A 308
ALA A 254
ALA A 193
THR A  81
 UNX  A 338 ( 3.2A)
None
None
None
 0.93A 2xfhA-1fggA:
0.0		 2xfhA-1fggA:
21.28
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.
2XKK_E_MFXE1100_1
(TOPOISOMERASE IV
DNA)		 3feg CHOLINE/ETHANOLAMINE
KINASE
(Homo
sapiens) 		3 / 3 ARG A 151
GLU A 283
SER A 150
 None
UNX  A 400 ( 3.2A)
AMP  A 398 ( 4.0A)
 0.93A 2xkkA-3fegA:
2.1
2xkkC-3fegA:
2.1		 2xkkA-3fegA:
18.89
2xkkC-3fegA:
18.89
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.
2XN5_A_FUNA1356_1
(THYROXINE-BINDING
GLOBULIN)		 2qq8 TBC1 DOMAIN FAMILY
MEMBER 14
(Homo
sapiens) 		5 / 11 ALA A 641
LEU A 580
LEU A 634
LEU A 610
LYS A 609
 None
None
None
UNX  A 202 ( 4.2A)
None
 1.06A 2xn5A-2qq8A:
undetectable		 2xn5A-2qq8A:
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.
2XN6_A_T44A1370_1
(THYROXINE-BINDING
GLOBULIN)		 2qq8 TBC1 DOMAIN FAMILY
MEMBER 14
(Homo
sapiens) 		5 / 10 ALA A 641
LEU A 580
LEU A 634
LEU A 610
LYS A 609
 None
None
None
UNX  A 202 ( 4.2A)
None
 1.06A 2xn6A-2qq8A:
undetectable
2xn6B-2qq8A:
undetectable		 2xn6A-2qq8A:
21.69
2xn6B-2qq8A:
7.92
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.
2XN6_A_T44A1370_1
(THYROXINE-BINDING
GLOBULIN)		 3hzj RAB
GTPASE-ACTIVATING
PROTEIN 1-LIKE
(Homo
sapiens) 		5 / 10 ALA A 696
LEU A 678
LEU A 733
LEU A 670
LEU A 736
 None
UNX  A 908 ( 4.7A)
None
None
None
 1.17A 2xn6A-3hzjA:
undetectable
2xn6B-3hzjA:
undetectable		 2xn6A-3hzjA:
20.33
2xn6B-3hzjA:
7.95
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.
2XXG_A_CUA1338_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 ASP A 120
HIS A 122
HIS A  94
 None
UNX  A 607 ( 3.5A)
UNX  A 608 ( 3.4A)
 0.69A 2xxgA-3t8lA:
undetectable		 2xxgA-3t8lA:
21.40
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.
2XYT_D_TC9D1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2d1g ACID PHOSPHATASE
(Francisella
tularensis) 		4 / 8 TYR A 385
GLN A 436
ILE A 384
ASP A 387
 None
None
None
UNX  A 601 ( 2.6A)
 0.90A 2xytE-2d1gA:
undetectable		 2xytE-2d1gA:
19.08
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.
2XYT_G_TC9G1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2d1g ACID PHOSPHATASE
(Francisella
tularensis) 		4 / 8 TYR A 385
GLN A 436
ILE A 384
ASP A 387
 None
None
None
UNX  A 601 ( 2.6A)
 0.93A 2xytH-2d1gA:
undetectable		 2xytH-2d1gA:
19.08
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.
2XYT_H_TC9H1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2d1g ACID PHOSPHATASE
(Francisella
tularensis) 		4 / 7 TYR A 385
GLN A 436
ILE A 384
ASP A 387
 None
None
None
UNX  A 601 ( 2.6A)
 0.97A 2xytI-2d1gA:
undetectable		 2xytI-2d1gA:
19.08
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.
2Y7H_C_SAMC530_1
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 3hzj RAB
GTPASE-ACTIVATING
PROTEIN 1-LIKE
(Homo
sapiens) 		3 / 3 TYR A 668
GLU A 671
ASN A 689
 None
UNX  A 902 ( 4.4A)
None
 0.97A 2y7hC-3hzjA:
undetectable		 2y7hC-3hzjA:
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.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 3rr6 PUTATIVE
UNCHARACTERIZED
PROTEIN
(Mycobacteroides
abscessus) 		4 / 8 ASP A 145
LYS A 162
GLY A 228
GLU A 116
 None
UNX  A 271 ( 3.2A)
None
None
 0.94A 2ys6A-3rr6A:
undetectable		 2ys6A-3rr6A:
22.44
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.
2Z0A_A_GLYA73_0
(NONSTRUCTURAL
PROTEIN 1)		 2qfz TBC1 DOMAIN FAMILY
MEMBER 22A
(Homo
sapiens) 		4 / 5 GLN A 320
GLN A 279
ILE A 282
ARG A 278
 UNX  A1012 (-3.1A)
None
None
None
 1.34A 2z0aA-2qfzA:
undetectable		 2z0aA-2qfzA:
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.
2ZW9_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 4q1z PUTATIVE LIPOPROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 8 THR A 398
ASP A 216
GLU A 223
SER A 220
 None
None
UNX  A 401 ( 3.4A)
None
 0.82A 2zw9A-4q1zA:
undetectable		 2zw9A-4q1zA:
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.
2ZW9_B_SAMB801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 3fzy RTX TOXIN RTXA
(Vibrio
cholerae) 		4 / 8 ILE A3584
LYS A3511
ARG A3457
SER A3632
 UNX  A 327 (-4.3A)
CL  A   1 ( 4.2A)
IHP  A8000 ( 4.0A)
None
 1.05A 2zw9B-3fzyA:
undetectable		 2zw9B-3fzyA:
15.14
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.
3A2Q_A_ACAA601_1
(6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE)		 1y81 CONSERVED
HYPOTHETICAL PROTEIN
(Pyrococcus
furiosus) 		4 / 7 GLY A  22
ASN A  23
VAL A  36
ILE A  46
 None
None
UNX  A 406 ( 4.2A)
None
 0.66A 3a2qA-1y81A:
undetectable		 3a2qA-1y81A:
14.50
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.
3A50_A_VD3A2001_1
(VITAMIN D
HYDROXYLASE)		 5fai RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE
NEP1
(Homo
sapiens) 		5 / 12 ILE A 118
ASN A  65
LEU A 140
THR A 124
LEU A  92
 None
UNX  A 304 ( 4.1A)
None
None
None
 1.09A 3a50A-5faiA:
undetectable		 3a50A-5faiA:
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.
3A50_C_VD3C2001_1
(VITAMIN D
HYDROXYLASE)		 5fai RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE
NEP1
(Homo
sapiens) 		5 / 11 ILE A 118
ASN A  65
LEU A 140
THR A 124
LEU A  92
 None
UNX  A 304 ( 4.1A)
None
None
None
 1.09A 3a50C-5faiA:
undetectable		 3a50C-5faiA:
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.
3A50_E_VD3E2001_1
(VITAMIN D
HYDROXYLASE)		 5fai RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE
NEP1
(Homo
sapiens) 		5 / 12 ILE A 118
ASN A  65
LEU A 140
THR A 124
LEU A  92
 None
UNX  A 304 ( 4.1A)
None
None
None
 1.11A 3a50E-5faiA:
undetectable		 3a50E-5faiA:
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.
3A51_D_VDYD6178_1
(VITAMIN D
HYDROXYLASE)		 5fai RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE
NEP1
(Homo
sapiens) 		5 / 12 ILE A 118
ASN A  65
LEU A 140
THR A 124
LEU A  92
 None
UNX  A 304 ( 4.1A)
None
None
None
 1.02A 3a51D-5faiA:
undetectable		 3a51D-5faiA:
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
ASP A 478
HIS A 477
HIS A  94
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 2.6A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
 1.32A 3a6jA-3t8lA:
undetectable		 3a6jA-3t8lA:
18.95
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
HIS A 477
HIS A  94
GLU A 187
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 2.6A)
 1.35A 3a6jA-3t8lA:
undetectable		 3a6jA-3t8lA:
18.95
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 7 GLU A 123
HIS A 122
ASP A 478
HIS A 477
HIS A  94
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 2.6A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
 1.34A 3a6jB-3t8lA:
undetectable		 3a6jB-3t8lA:
18.95
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 7 GLU A 123
HIS A 122
HIS A 477
HIS A  94
GLU A 187
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 2.6A)
 1.37A 3a6jB-3t8lA:
undetectable		 3a6jB-3t8lA:
18.95
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 7 GLU A 187
HIS A  94
ASP A 289
HIS A 239
 UNX  A 606 ( 2.6A)
UNX  A 608 ( 3.4A)
UNX  A 608 ( 2.4A)
UNX  A 606 ( 3.6A)
 0.95A 3a6jB-3t8lA:
undetectable		 3a6jB-3t8lA:
18.95
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.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
ASP A 478
HIS A 477
HIS A  94
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 2.6A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
 1.33A 3a6jC-3t8lA:
undetectable		 3a6jC-3t8lA:
18.95
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.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
HIS A 477
HIS A  94
GLU A 187
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 2.6A)
 1.37A 3a6jC-3t8lA:
undetectable		 3a6jC-3t8lA:
18.95
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
ASP A 478
HIS A 477
HIS A  94
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 2.6A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
 1.34A 3a6jE-3t8lA:
undetectable		 3a6jE-3t8lA:
18.95
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
HIS A 477
HIS A  94
GLU A 187
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 2.6A)
 1.36A 3a6jE-3t8lA:
undetectable		 3a6jE-3t8lA:
18.95
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 8 GLU A 187
HIS A  94
ASP A 289
HIS A 239
 UNX  A 606 ( 2.6A)
UNX  A 608 ( 3.4A)
UNX  A 608 ( 2.4A)
UNX  A 606 ( 3.6A)
 0.97A 3a6jE-3t8lA:
undetectable		 3a6jE-3t8lA:
18.95
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.
3AOB_C_RFPC2002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 1yd7 2-KETO
ACID:FERREDOXIN
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		5 / 12 GLN A  16
PHE A 156
ALA A 155
PHE A  14
GLY A 182
 UNX  A 390 (-4.4A)
None
None
None
None
 1.50A 3aobC-1yd7A:
undetectable		 3aobC-1yd7A:
17.85
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		 5jjx SQUAMOUS CELL
CARCINOMA ANTIGEN
RECOGNIZED BY
T-CELLS 3
(Homo
sapiens) 		3 / 3 LEU A 337
VAL A 364
ARG A 370
 None
None
UNX  A 402 ( 4.0A)
 0.90A 3b0wB-5jjxA:
undetectable		 3b0wB-5jjxA:
23.38
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.
3B7E_A_ZMRA1001_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.32A 3b7eA-3lp8A:
undetectable		 3b7eA-3lp8A:
22.13
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.
3B7E_B_ZMRB1002_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.32A 3b7eB-3lp8A:
undetectable		 3b7eB-3lp8A:
22.13
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.
3BWY_A_SAMA301_0
(COMT PROTEIN)		 4lg9 F-BOX-LIKE/WD
REPEAT-CONTAINING
PROTEIN TBL1XR1
(Homo
sapiens) 		5 / 12 VAL A 228
GLY A 247
TYR A 245
GLN A 303
HIS A 265
 None
None
None
UNX  A 604 ( 4.4A)
None
 1.37A 3bwyA-4lg9A:
undetectable		 3bwyA-4lg9A:
20.25
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.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 5 HIS A 239
HIS A 218
ASP A 289
ASP A 290
 UNX  A 606 ( 3.6A)
UNX  A 606 ( 3.2A)
UNX  A 608 ( 2.4A)
None
 1.16A 3c0zA-3t8lA:
undetectable		 3c0zA-3t8lA:
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.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 6 HIS A 239
HIS A 218
ASP A 289
ASP A 290
 UNX  A 606 ( 3.6A)
UNX  A 606 ( 3.2A)
UNX  A 608 ( 2.4A)
None
 1.17A 3c0zC-3t8lA:
undetectable		 3c0zC-3t8lA:
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.
3CKZ_A_ZMRA469_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.37A 3ckzA-3lp8A:
undetectable		 3ckzA-3lp8A:
21.66
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.
3CYX_A_ROCA201_2
(HIV-1 PROTEASE)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		3 / 3 ARG A 148
VAL A 153
THR A 159
 UNX  A 408 ( 4.2A)
None
None
 0.86A 3cyxA-3thuA:
undetectable		 3cyxA-3thuA:
14.01
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.
3DDY_A_RBFA187_1
(LUMAZINE PROTEIN)		 2ayv UBIQUITIN-CONJUGATIN
G ENZYME E2
(Toxoplasma
gondii) 		5 / 12 THR A  98
ILE A  54
ALA A  23
THR A  36
ILE A  37
 UNX  A 153 ( 4.0A)
None
None
None
None
 1.25A 3ddyA-2ayvA:
undetectable		 3ddyA-2ayvA:
26.06
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.
3DH0_A_SAMA220_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 2x2u PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
(Homo
sapiens) 		4 / 8 ARG A 144
TYR A 146
GLU A 238
GLU A 273
 None
UNX  A1287 ( 4.6A)
None
None
 1.32A 3dh0A-2x2uA:
undetectable		 3dh0A-2x2uA:
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.
3DOU_A_SAMA1_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C
(Homo
sapiens) 		5 / 12 ALA A  95
GLY A 120
PRO A 123
GLY A 124
LEU A 142
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.6A)
None
UNX  A1016 ( 2.9A)
SAH  A1001 (-4.2A)
 0.54A 3douA-4mtlA:
11.0		 3douA-4mtlA:
19.76
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.
3DOU_A_SAMA1_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 3b6v KINESIN-LIKE PROTEIN
KIF3C
(Homo
sapiens) 		3 / 3 ASP A  65
ASP A  36
ASP A  72
 UNX  A1003 (-4.8A)
None
None
 0.53A 3douA-3b6vA:
undetectable		 3douA-3b6vA:
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.
3E9R_C_ACTC700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 2gry KINESIN-LIKE PROTEIN
KIF2
(Homo
sapiens) 		4 / 6 GLY A 286
TYR A 519
MET A 499
ASN A 434
 UNX  A2002 (-3.6A)
None
None
UNX  A2002 ( 4.5A)
 0.98A 3e9rC-2gryA:
undetectable		 3e9rC-2gryA:
20.83
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.
3EBZ_B_017B201_2
(PROTEASE)		 3cpf EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5A-1
(Homo
sapiens) 		5 / 11 GLY A 130
ASP A 128
ILE A 123
GLY A  93
ILE A  92
 UNX  A   4 ( 3.7A)
None
None
None
None
 1.05A 3ebzB-3cpfA:
undetectable		 3ebzB-3cpfA:
25.38
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.
3ETE_C_H3PC554_1
(GLUTAMATE
DEHYDROGENASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 5 ILE A 195
MET A 201
ILE A 188
HIS A 218
 None
None
None
UNX  A 606 ( 3.2A)
 1.24A 3eteB-3t8lA:
undetectable
3eteC-3t8lA:
undetectable		 3eteB-3t8lA:
23.24
3eteC-3t8lA:
23.24
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.
3EZ3_A_ZOLA397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.08A 3ez3A-4fp4A:
20.1		 3ez3A-4fp4A:
23.98
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.
3EZ3_A_ZOLA397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
None
None
 0.85A 3ez3A-4fp4A:
20.1		 3ez3A-4fp4A:
23.98
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.
3EZ3_B_ZOLB397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.02A 3ez3B-4fp4A:
19.7		 3ez3B-4fp4A:
23.98
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.
3EZ3_B_ZOLB397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
None
None
 0.78A 3ez3B-4fp4A:
19.7		 3ez3B-4fp4A:
23.98
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.
3EZ3_C_ZOLC397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 1.08A 3ez3C-4fp4A:
20.1		 3ez3C-4fp4A:
23.98
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.
3EZ3_C_ZOLC397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.10A 3ez3C-4fp4A:
20.1		 3ez3C-4fp4A:
23.98
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.
3EZ3_C_ZOLC397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
None
None
 0.88A 3ez3C-4fp4A:
20.1		 3ez3C-4fp4A:
23.98
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.
3EZ3_D_ZOLD397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 ASP A  86
ASP A  90
ARG A  95
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
None
None
 0.80A 3ez3D-4fp4A:
19.5		 3ez3D-4fp4A:
23.98
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.
3EZ3_D_ZOLD397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.03A 3ez3D-4fp4A:
19.5		 3ez3D-4fp4A:
23.98
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.
3FI0_P_TRPP1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2nzt HEXOKINASE-2
(Homo
sapiens) 		4 / 7 GLN A 478
VAL A 825
ILE A 818
GLN A 471
 None
None
UNX  A  10 ( 4.8A)
None
 0.92A 3fi0P-2nztA:
undetectable		 3fi0P-2nztA:
16.49
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.
3G1U_C_ADNC438_2
(ADENOSYLHOMOCYSTEINA
SE)		 4iv5 ASPARTATE
CARBAMOYLTRANSFERASE
, PUTATIVE
(Trypanosoma
cruzi) 		4 / 5 THR A 151
THR A 175
HIS A 141
HIS A 287
 None
None
UNX  A 402 ( 4.2A)
None
 1.35A 3g1uC-4iv5A:
10.4		 3g1uC-4iv5A:
24.95
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.
3GAN_A_SVRA158_1
(UNCHARACTERIZED
PROTEIN AT3G22680)		 3pfn NAD KINASE
(Homo
sapiens) 		5 / 11 VAL A 360
PRO A 361
TYR A 327
ILE A 317
ILE A 368
 None
None
None
UNX  A   8 ( 4.3A)
None
 1.47A 3ganA-3pfnA:
undetectable		 3ganA-3pfnA:
19.21
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.
3HCR_A_CHDA424_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ijp DIHYDRODIPICOLINATE
REDUCTASE
(Bartonella
henselae) 		4 / 8 ARG A 177
PRO A 162
SER A 163
GLY A 202
 None
None
UNX  A 271 ( 4.9A)
None
 1.14A 3hcrA-3ijpA:
2.5		 3hcrA-3ijpA:
22.55
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.
3IBA_A_ZOLA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
None
 1.22A 3ibaA-4fp4A:
20.9		 3ibaA-4fp4A:
23.83
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.
3IBA_A_ZOLA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.17A 3ibaA-4fp4A:
20.9		 3ibaA-4fp4A:
23.83
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.
3IV6_D_SAMD301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 3u1u RNA
POLYMERASE-ASSOCIATE
D PROTEIN RTF1
HOMOLOG
(Homo
sapiens) 		5 / 12 SER A 443
ILE A 405
ASP A 433
ARG A 435
LEU A 428
 UNX  A 511 ( 4.1A)
None
UNX  A 505 ( 4.4A)
None
UNX  A 505 ( 4.6A)
 1.17A 3iv6D-3u1uA:
undetectable		 3iv6D-3u1uA:
21.65
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.
3JAY_A_SAMA1102_1
(STRUCTURAL PROTEIN
VP3)		 3dlj BETA-ALA-HIS
DIPEPTIDASE
(Homo
sapiens) 		3 / 3 ARG A 342
ASP A 233
ASP A 231
 None
None
UNX  A2010 ( 4.8A)
 0.69A 3jayA-3dljA:
undetectable		 3jayA-3dljA:
17.48
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.
3JB2_A_SAMA1102_1
(STRUCTURAL PROTEIN
VP3)		 3dlj BETA-ALA-HIS
DIPEPTIDASE
(Homo
sapiens) 		3 / 3 ARG A 342
ASP A 233
ASP A 231
 None
None
UNX  A2010 ( 4.8A)
 0.66A 3jb2A-3dljA:
undetectable		 3jb2A-3dljA:
17.48
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.
3JB3_A_SAMA1102_1
(STRUCTURAL PROTEIN
VP3)		 3dlj BETA-ALA-HIS
DIPEPTIDASE
(Homo
sapiens) 		3 / 3 ARG A 342
ASP A 233
ASP A 231
 None
None
UNX  A2010 ( 4.8A)
 0.69A 3jb3A-3dljA:
undetectable		 3jb3A-3dljA:
17.48
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.
3JWX_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1
(Homo
sapiens) 		4 / 6 VAL A  67
ARG A  44
PHE A 134
GLU A 142
 None
UNX  A 305 (-4.1A)
None
None
 1.49A 3jwxA-3c5hA:
0.0
3jwxB-3c5hA:
0.2		 3jwxA-3c5hA:
18.76
3jwxB-3c5hA:
18.76
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.
3JWY_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1
(Homo
sapiens) 		4 / 6 VAL A  67
ARG A  44
PHE A 134
GLU A 142
 None
UNX  A 305 (-4.1A)
None
None
 1.49A 3jwyA-3c5hA:
0.0
3jwyB-3c5hA:
0.0		 3jwyA-3c5hA:
18.76
3jwyB-3c5hA:
18.76
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.
3K39_O_BCZO1001_0
(NEURAMINIDASE)		 3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN
(Sphingomonas
sp.
SKA58) 		5 / 12 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 UNX  A 408 ( 4.2A)
UNX  A 408 ( 2.8A)
UNX  A 407 ( 4.0A)
None
None
 1.43A 3k39O-3thuA:
undetectable		 3k39O-3thuA:
21.83
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.
3K9W_A_ACTA170_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3ijp DIHYDRODIPICOLINATE
REDUCTASE
(Bartonella
henselae) 		3 / 3 SER A 163
GLY A 164
THR A 165
 UNX  A 271 ( 4.9A)
UNX  A 271 ( 3.7A)
UNX  A 270 ( 4.5A)
 0.16A 3k9wA-3ijpA:
3.6		 3k9wA-3ijpA:
28.47
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.
3KKZ_B_SAMB302_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 GLY A 379
GLY A   9
SER A  14
ALA A 365
ASN A 383
 UNX  A 423 ( 3.9A)
None
None
None
None
 1.08A 3kkzB-3lp8A:
3.0		 3kkzB-3lp8A:
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.
3KO0_A_TFPA202_1
(PROTEIN S100-A4)		 4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 LEU A  70
SER A  67
ILE A 292
GLU A 132
PHE A  65
 None
UNX  A 420 ( 3.0A)
None
UNX  A 420 ( 3.3A)
UNX  A 408 ( 4.8A)
 1.17A 3ko0A-4pwyA:
undetectable
3ko0B-4pwyA:
undetectable
3ko0C-4pwyA:
undetectable
3ko0D-4pwyA:
undetectable		 3ko0A-4pwyA:
18.85
3ko0B-4pwyA:
18.85
3ko0C-4pwyA:
18.85
3ko0D-4pwyA:
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.
3KO0_C_TFPC202_1
(PROTEIN S100-A4)		 4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 11 PHE A  65
LEU A  70
SER A  67
ILE A 292
GLU A 132
 UNX  A 408 ( 4.8A)
None
UNX  A 420 ( 3.0A)
None
UNX  A 420 ( 3.3A)
 1.20A 3ko0A-4pwyA:
undetectable
3ko0B-4pwyA:
undetectable
3ko0C-4pwyA:
undetectable
3ko0D-4pwyA:
undetectable		 3ko0A-4pwyA:
18.85
3ko0B-4pwyA:
18.85
3ko0C-4pwyA:
18.85
3ko0D-4pwyA:
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.
3KO0_C_TFPC202_1
(PROTEIN S100-A4)		 6dub -
(-) 		5 / 11 SER A  94
LEU A 105
PHE A 104
ILE A 219
ASP A 122
 None
None
UNX  A 304 ( 4.8A)
None
SAH  A 301 ( 4.9A)
 1.10A 3ko0A-6dubA:
undetectable
3ko0B-6dubA:
undetectable
3ko0C-6dubA:
undetectable
3ko0D-6dubA:
undetectable		 3ko0A-6dubA:
undetectable
3ko0B-6dubA:
undetectable
3ko0C-6dubA:
undetectable
3ko0D-6dubA:
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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 4rcm METHYLATED
RNA-BINDING PROTEIN
1
(Saccharomyces
cerevisiae) 		4 / 8 GLY A 175
CYH A 213
PHE A 212
PHE A 290
 UNX  A 405 ( 4.2A)
None
None
None
 1.06A 3ko0D-4rcmA:
undetectable
3ko0E-4rcmA:
undetectable		 3ko0D-4rcmA:
22.02
3ko0E-4rcmA:
22.02
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.
3KO0_D_TFPD202_1
(PROTEIN S100-A4)		 4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 11 GLU A 132
LEU A  70
SER A  67
ILE A 292
PHE A  65
 UNX  A 420 ( 3.3A)
None
UNX  A 420 ( 3.0A)
None
UNX  A 408 ( 4.8A)
 1.20A 3ko0C-4pwyA:
undetectable
3ko0D-4pwyA:
undetectable
3ko0E-4pwyA:
undetectable
3ko0F-4pwyA:
undetectable		 3ko0C-4pwyA:
18.85
3ko0D-4pwyA:
18.85
3ko0E-4pwyA:
18.85
3ko0F-4pwyA:
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.
3KO0_E_TFPE202_1
(PROTEIN S100-A4)		 4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 11 PHE A  65
LEU A  70
SER A  67
ILE A 292
GLU A 132
 UNX  A 408 ( 4.8A)
None
UNX  A 420 ( 3.0A)
None
UNX  A 420 ( 3.3A)
 1.17A 3ko0C-4pwyA:
undetectable
3ko0D-4pwyA:
undetectable
3ko0E-4pwyA:
undetectable
3ko0F-4pwyA:
undetectable		 3ko0C-4pwyA:
18.85
3ko0D-4pwyA:
18.85
3ko0E-4pwyA:
18.85
3ko0F-4pwyA:
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.
3KO0_F_TFPF202_1
(PROTEIN S100-A4)		 4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 11 GLU A 132
LEU A  70
SER A  67
ILE A 292
PHE A  65
 UNX  A 420 ( 3.3A)
None
UNX  A 420 ( 3.0A)
None
UNX  A 408 ( 4.8A)
 1.27A 3ko0E-4pwyA:
undetectable
3ko0F-4pwyA:
undetectable
3ko0G-4pwyA:
undetectable
3ko0H-4pwyA:
undetectable		 3ko0E-4pwyA:
18.85
3ko0F-4pwyA:
18.85
3ko0G-4pwyA:
18.85
3ko0H-4pwyA:
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.
3KO0_F_TFPF202_1
(PROTEIN S100-A4)		 6dub -
(-) 		5 / 11 ASP A 122
LEU A 105
PHE A 104
ILE A 219
SER A  94
 SAH  A 301 ( 4.9A)
None
UNX  A 304 ( 4.8A)
None
None
 1.01A 3ko0E-6dubA:
undetectable
3ko0F-6dubA:
undetectable
3ko0G-6dubA:
undetectable
3ko0H-6dubA:
undetectable		 3ko0E-6dubA:
undetectable
3ko0F-6dubA:
undetectable
3ko0G-6dubA:
undetectable
3ko0H-6dubA:
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.
3KO0_H_TFPH202_1
(PROTEIN S100-A4)		 4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 GLU A 132
LEU A  70
SER A  67
ILE A 292
PHE A  65
 UNX  A 420 ( 3.3A)
None
UNX  A 420 ( 3.0A)
None
UNX  A 408 ( 4.8A)
 1.21A 3ko0G-4pwyA:
undetectable
3ko0H-4pwyA:
undetectable
3ko0I-4pwyA:
undetectable
3ko0J-4pwyA:
undetectable		 3ko0G-4pwyA:
18.85
3ko0H-4pwyA:
18.85
3ko0I-4pwyA:
18.85
3ko0J-4pwyA:
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.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 4rcm METHYLATED
RNA-BINDING PROTEIN
1
(Saccharomyces
cerevisiae) 		4 / 8 GLY A 175
CYH A 213
PHE A 212
PHE A 290
 UNX  A 405 ( 4.2A)
None
None
None
 1.10A 3ko0B-4rcmA:
undetectable
3ko0J-4rcmA:
undetectable		 3ko0B-4rcmA:
22.02
3ko0J-4rcmA:
22.02
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.
3KO0_K_TFPK201_1
(PROTEIN S100-A4)		 4rcm METHYLATED
RNA-BINDING PROTEIN
1
(Saccharomyces
cerevisiae) 		4 / 8 GLY A 175
CYH A 213
PHE A 212
PHE A 290
 UNX  A 405 ( 4.2A)
None
None
None
 1.02A 3ko0K-4rcmA:
undetectable
3ko0S-4rcmA:
undetectable		 3ko0K-4rcmA:
22.02
3ko0S-4rcmA:
22.02
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.
3KO0_K_TFPK202_1
(PROTEIN S100-A4)		 4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 LEU A  70
SER A  67
ILE A 292
GLU A 132
PHE A  65
 None
UNX  A 420 ( 3.0A)
None
UNX  A 420 ( 3.3A)
UNX  A 408 ( 4.8A)
 1.17A 3ko0K-4pwyA:
undetectable
3ko0L-4pwyA:
undetectable
3ko0S-4pwyA:
undetectable
3ko0T-4pwyA:
undetectable		 3ko0K-4pwyA:
18.85
3ko0L-4pwyA:
18.85
3ko0S-4pwyA:
18.85
3ko0T-4pwyA:
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.
3KO0_L_TFPL201_1
(PROTEIN S100-A4)		 4rcm METHYLATED
RNA-BINDING PROTEIN
1
(Saccharomyces
cerevisiae) 		4 / 7 GLY A 175
CYH A 213
PHE A 212
PHE A 290
 UNX  A 405 ( 4.2A)
None
None
None
 1.07A 3ko0L-4rcmA:
undetectable
3ko0N-4rcmA:
undetectable		 3ko0L-4rcmA:
22.02
3ko0N-4rcmA:
22.02
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.
3KO0_L_TFPL202_1
(PROTEIN S100-A4)		 4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 GLU A 132
LEU A  70
SER A  67
ILE A 292
PHE A  65
 UNX  A 420 ( 3.3A)
None
UNX  A 420 ( 3.0A)
None
UNX  A 408 ( 4.8A)
 1.19A 3ko0K-4pwyA:
undetectable
3ko0L-4pwyA:
undetectable
3ko0M-4pwyA:
undetectable
3ko0N-4pwyA:
undetectable		 3ko0K-4pwyA:
18.85
3ko0L-4pwyA:
18.85
3ko0M-4pwyA:
18.85
3ko0N-4pwyA:
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.
3KO0_M_TFPM202_1
(PROTEIN S100-A4)		 4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 LEU A  70
SER A  67
ILE A 292
GLU A 132
PHE A  65
 None
UNX  A 420 ( 3.0A)
None
UNX  A 420 ( 3.3A)
UNX  A 408 ( 4.8A)
 1.18A 3ko0M-4pwyA:
undetectable
3ko0N-4pwyA:
undetectable
3ko0O-4pwyA:
undetectable
3ko0P-4pwyA:
undetectable		 3ko0M-4pwyA:
18.85
3ko0N-4pwyA:
18.85
3ko0O-4pwyA:
18.85
3ko0P-4pwyA:
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.
3KO0_N_TFPN202_1
(PROTEIN S100-A4)		 4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 11 PHE A  65
GLU A 132
LEU A  70
SER A  67
ILE A 292
 UNX  A 408 ( 4.8A)
UNX  A 420 ( 3.3A)
None
UNX  A 420 ( 3.0A)
None
 1.23A 3ko0K-4pwyA:
undetectable
3ko0L-4pwyA:
undetectable
3ko0M-4pwyA:
undetectable
3ko0N-4pwyA:
undetectable		 3ko0K-4pwyA:
18.85
3ko0L-4pwyA:
18.85
3ko0M-4pwyA:
18.85
3ko0N-4pwyA:
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.
3KO0_N_TFPN202_1
(PROTEIN S100-A4)		 6dub -
(-) 		5 / 11 SER A  94
ASP A 122
LEU A 105
PHE A 104
ILE A 219
 None
SAH  A 301 ( 4.9A)
None
UNX  A 304 ( 4.8A)
None
 1.08A 3ko0K-6dubA:
undetectable
3ko0L-6dubA:
undetectable
3ko0M-6dubA:
undetectable
3ko0N-6dubA:
undetectable		 3ko0K-6dubA:
undetectable
3ko0L-6dubA:
undetectable
3ko0M-6dubA:
undetectable
3ko0N-6dubA:
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.
3KO0_O_TFPO202_1
(PROTEIN S100-A4)		 4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 11 LEU A  70
SER A  67
ILE A 292
GLU A 132
PHE A  65
 None
UNX  A 420 ( 3.0A)
None
UNX  A 420 ( 3.3A)
UNX  A 408 ( 4.8A)
 1.16A 3ko0O-4pwyA:
undetectable
3ko0P-4pwyA:
undetectable
3ko0Q-4pwyA:
undetectable
3ko0R-4pwyA:
undetectable		 3ko0O-4pwyA:
18.85
3ko0P-4pwyA:
18.85
3ko0Q-4pwyA:
18.85
3ko0R-4pwyA:
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.
3KO0_P_TFPP202_1
(PROTEIN S100-A4)		 4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 PHE A  65
GLU A 132
LEU A  70
SER A  67
ILE A 292
 UNX  A 408 ( 4.8A)
UNX  A 420 ( 3.3A)
None
UNX  A 420 ( 3.0A)
None
 1.16A 3ko0M-4pwyA:
undetectable
3ko0N-4pwyA:
undetectable
3ko0O-4pwyA:
undetectable
3ko0P-4pwyA:
undetectable		 3ko0M-4pwyA:
18.85
3ko0N-4pwyA:
18.85
3ko0O-4pwyA:
18.85
3ko0P-4pwyA:
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.
3KO0_Q_TFPQ202_1
(PROTEIN S100-A4)		 4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 10 PHE A  65
LEU A  70
SER A  67
ILE A 292
GLU A 132
 UNX  A 408 ( 4.8A)
None
UNX  A 420 ( 3.0A)
None
UNX  A 420 ( 3.3A)
 1.19A 3ko0O-4pwyA:
undetectable
3ko0P-4pwyA:
undetectable
3ko0Q-4pwyA:
undetectable
3ko0R-4pwyA:
undetectable		 3ko0O-4pwyA:
18.85
3ko0P-4pwyA:
18.85
3ko0Q-4pwyA:
18.85
3ko0R-4pwyA:
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.
3KO0_S_TFPS201_1
(PROTEIN S100-A4)		 4rcm METHYLATED
RNA-BINDING PROTEIN
1
(Saccharomyces
cerevisiae) 		4 / 7 GLY A 175
CYH A 213
PHE A 212
PHE A 290
 UNX  A 405 ( 4.2A)
None
None
None
 1.13A 3ko0K-4rcmA:
undetectable
3ko0S-4rcmA:
undetectable		 3ko0K-4rcmA:
22.02
3ko0S-4rcmA:
22.02
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.
3KO0_T_TFPT201_1
(PROTEIN S100-A4)		 4rcm METHYLATED
RNA-BINDING PROTEIN
1
(Saccharomyces
cerevisiae) 		4 / 7 GLY A 175
CYH A 213
PHE A 212
PHE A 290
 UNX  A 405 ( 4.2A)
None
None
None
 1.11A 3ko0R-4rcmA:
undetectable
3ko0T-4rcmA:
undetectable		 3ko0R-4rcmA:
22.02
3ko0T-4rcmA:
22.02
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.
3KO0_T_TFPT202_1
(PROTEIN S100-A4)		 4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 11 PHE A  65
GLU A 132
LEU A  70
SER A  67
ILE A 292
 UNX  A 408 ( 4.8A)
UNX  A 420 ( 3.3A)
None
UNX  A 420 ( 3.0A)
None
 1.22A 3ko0Q-4pwyA:
undetectable
3ko0R-4pwyA:
undetectable
3ko0S-4pwyA:
undetectable
3ko0T-4pwyA:
undetectable		 3ko0Q-4pwyA:
18.85
3ko0R-4pwyA:
18.85
3ko0S-4pwyA:
18.85
3ko0T-4pwyA:
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.
3LDW_A_ZOLA397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 1.09A 3ldwA-4fp4A:
20.0		 3ldwA-4fp4A:
23.98
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.
3LDW_A_ZOLA397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.06A 3ldwA-4fp4A:
20.0		 3ldwA-4fp4A:
23.98
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.
3LDW_A_ZOLA397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
None
None
 0.85A 3ldwA-4fp4A:
20.0		 3ldwA-4fp4A:
23.98
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.
3LDW_B_ZOLB397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 0.98A 3ldwB-4fp4A:
19.7		 3ldwB-4fp4A:
23.98
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.
3LDW_B_ZOLB397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.04A 3ldwB-4fp4A:
19.7		 3ldwB-4fp4A:
23.98
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.
3LDW_B_ZOLB397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
None
None
 0.82A 3ldwB-4fp4A:
19.7		 3ldwB-4fp4A:
23.98
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.
3LDW_C_ZOLC397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 1.09A 3ldwC-4fp4A:
20.0		 3ldwC-4fp4A:
23.98
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.
3LDW_C_ZOLC397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.10A 3ldwC-4fp4A:
20.0		 3ldwC-4fp4A:
23.98
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.
3LDW_C_ZOLC397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
None
None
 0.89A 3ldwC-4fp4A:
20.0		 3ldwC-4fp4A:
23.98
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.
3LDW_D_ZOLD397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 1.00A 3ldwD-4fp4A:
19.3		 3ldwD-4fp4A:
23.98
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.
3LDW_D_ZOLD397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.05A 3ldwD-4fp4A:
19.3		 3ldwD-4fp4A:
23.98
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.
3LDW_D_ZOLD397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
None
None
 0.83A 3ldwD-4fp4A:
19.3		 3ldwD-4fp4A:
23.98
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.
3LN1_C_CELC682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C
(Homo
sapiens) 		4 / 7 ARG A 226
SER A 193
LEU A 202
ILE A 119
 UNX  A1003 ( 4.0A)
SAH  A1001 (-2.7A)
None
None
 1.08A 3ln1C-4mtlA:
undetectable		 3ln1C-4mtlA:
16.44
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		 4rcm METHYLATED
RNA-BINDING PROTEIN
1
(Saccharomyces
cerevisiae) 		4 / 8 ASP A 274
CYH A 213
PHE A 212
LEU A 165
 None
None
None
UNX  A 401 ( 4.7A)
 1.02A 3m0wE-4rcmA:
undetectable
3m0wF-4rcmA:
undetectable
3m0wG-4rcmA:
undetectable
3m0wH-4rcmA:
undetectable		 3m0wE-4rcmA:
22.29
3m0wF-4rcmA:
22.29
3m0wG-4rcmA:
22.29
3m0wH-4rcmA:
22.29
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.
3M6V_B_SAMB465_0
(RRNA METHYLASE)		 3jzy INTERSECTIN 2
(Homo
sapiens) 		5 / 12 PRO A1639
GLY A1638
VAL A1656
ARG A1657
LEU A1604
 None
None
None
UNX  A   4 ( 4.1A)
None
 1.04A 3m6vB-3jzyA:
undetectable		 3m6vB-3jzyA:
20.15
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.
3M6W_A_SAMA465_0
(RRNA METHYLASE)		 3jzy INTERSECTIN 2
(Homo
sapiens) 		5 / 12 PRO A1639
GLY A1638
VAL A1656
ARG A1657
LEU A1604
 None
None
None
UNX  A   4 ( 4.1A)
None
 1.03A 3m6wA-3jzyA:
undetectable		 3m6wA-3jzyA:
20.15
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		 4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C
(Homo
sapiens) 		5 / 12 LEU A  98
VAL A 195
PHE A 257
LEU A 256
GLU A 118
 None
SAH  A1001 ( 4.9A)
None
None
UNX  A1016 ( 2.6A)
 1.16A 3medA-4mtlA:
undetectable
3medB-4mtlA:
undetectable		 3medA-4mtlA:
18.18
3medB-4mtlA:
22.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MES_A_DMEA427_1
(CHOLINE KINASE)		 3feg CHOLINE/ETHANOLAMINE
KINASE
(Homo
sapiens) 		8 / 10 ASP A 242
GLN A 244
GLU A 283
TYR A 288
TRP A 353
TRP A 356
PHE A 368
TYR A 373
 HC7  A   1 (-2.8A)
HC7  A   1 (-4.2A)
UNX  A 400 ( 3.2A)
HC7  A   1 ( 3.7A)
HC7  A   1 (-3.9A)
HC7  A   1 (-4.4A)
HC7  A   1 (-3.2A)
HC7  A   1 (-4.0A)
 0.59A 3mesA-3fegA:
35.0		 3mesA-3fegA:
33.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MES_B_DMEB427_1
(CHOLINE KINASE)		 3feg CHOLINE/ETHANOLAMINE
KINASE
(Homo
sapiens) 		8 / 10 ASP A 242
GLN A 244
GLU A 283
TYR A 288
TRP A 353
TRP A 356
PHE A 368
TYR A 373
 HC7  A   1 (-2.8A)
HC7  A   1 (-4.2A)
UNX  A 400 ( 3.2A)
HC7  A   1 ( 3.7A)
HC7  A   1 (-3.9A)
HC7  A   1 (-4.4A)
HC7  A   1 (-3.2A)
HC7  A   1 (-4.0A)
 0.61A 3mesB-3fegA:
35.0		 3mesB-3fegA:
33.86
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.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 8 LYS A 559
HIS A 263
ASP A 478
ASP A 290
 None
None
UNX  A 607 ( 2.6A)
None
 0.96A 3n2oC-3t8lA:
8.6
3n2oD-3t8lA:
7.7		 3n2oC-3t8lA:
23.33
3n2oD-3t8lA:
23.33
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.
3N45_F_ZOLF354_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 11 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
None
 1.08A 3n45F-4fp4A:
21.0		 3n45F-4fp4A:
24.73
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.
3N45_F_ZOLF354_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 11 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.16A 3n45F-4fp4A:
21.0		 3n45F-4fp4A:
24.73
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.
3N45_F_ZOLF354_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 11 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.07A 3n45F-4fp4A:
21.0		 3n45F-4fp4A:
24.73
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.
3N46_F_ZOLF354_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 0.96A 3n46F-4fp4A:
20.9		 3n46F-4fp4A:
24.73
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.
3N46_F_ZOLF354_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.19A 3n46F-4fp4A:
20.9		 3n46F-4fp4A:
24.73
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.
3N46_F_ZOLF354_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.12A 3n46F-4fp4A:
20.9		 3n46F-4fp4A:
24.73
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.
3N5S_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE)		 3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1
(Homo
sapiens) 		4 / 6 VAL A  67
ARG A  44
PHE A 134
GLU A 142
 None
UNX  A 305 (-4.1A)
None
None
 1.46A 3n5sA-3c5hA:
undetectable
3n5sB-3c5hA:
undetectable		 3n5sA-3c5hA:
18.76
3n5sB-3c5hA:
18.76
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.
3N6F_A_H4BA600_1
('NITRIC OXIDE
SYNTHASE)		 3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1
(Homo
sapiens) 		4 / 6 VAL A  67
ARG A  44
PHE A 134
GLU A 142
 None
UNX  A 305 (-4.1A)
None
None
 1.49A 3n6fA-3c5hA:
undetectable
3n6fB-3c5hA:
undetectable		 3n6fA-3c5hA:
17.94
3n6fB-3c5hA:
17.94
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.
3N6G_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE)		 3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1
(Homo
sapiens) 		4 / 6 VAL A  67
ARG A  44
PHE A 134
GLU A 142
 None
UNX  A 305 (-4.1A)
None
None
 1.48A 3n6gA-3c5hA:
0.4
3n6gB-3c5hA:
undetectable		 3n6gA-3c5hA:
17.94
3n6gB-3c5hA:
17.94
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.
3N8Y_B_SALB900_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 2rex PLEXIN-B1
(Homo
sapiens) 		4 / 5 VAL A1841
LEU A1836
TYR A1839
ILE A1777
 None
None
None
UNX  A  11 ( 4.8A)
 1.01A 3n8yB-2rexA:
undetectable		 3n8yB-2rexA:
12.36
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.
3NLG_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1
(Homo
sapiens) 		4 / 6 VAL A  67
ARG A  44
PHE A 134
GLU A 142
 None
UNX  A 305 (-4.1A)
None
None
 1.50A 3nlgA-3c5hA:
0.4
3nlgB-3c5hA:
undetectable		 3nlgA-3c5hA:
18.76
3nlgB-3c5hA:
18.76
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.
3NLH_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1
(Homo
sapiens) 		4 / 6 VAL A  67
ARG A  44
PHE A 134
GLU A 142
 None
UNX  A 305 (-4.1A)
None
None
 1.48A 3nlhA-3c5hA:
0.0
3nlhB-3c5hA:
undetectable		 3nlhA-3c5hA:
17.94
3nlhB-3c5hA:
17.94
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.
3NLY_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2if6 HYPOTHETICAL PROTEIN
YIIX
(Escherichia
coli) 		4 / 8 GLU A 130
SER A 129
ARG A 143
VAL A 184
 UNX  A   1 (-2.2A)
None
None
None
 1.35A 3nlyA-2if6A:
undetectable
3nlyB-2if6A:
undetectable		 3nlyA-2if6A:
18.89
3nlyB-2if6A:
18.89
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.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 3ijp DIHYDRODIPICOLINATE
REDUCTASE
(Bartonella
henselae) 		4 / 6 HIS A 215
ARG A 207
HIS A 154
ASP A 160
 None
None
UNX  A 268 ( 4.4A)
NAP  A 300 (-3.6A)
 1.16A 3nvcA-3ijpA:
undetectable		 3nvcA-3ijpA:
21.96
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.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 6 HIS A 218
ARG A 260
HIS A 239
ASP A 290
 UNX  A 606 ( 3.2A)
None
UNX  A 606 ( 3.6A)
None
 1.11A 3nvcA-3t8lA:
undetectable		 3nvcA-3t8lA:
22.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O1C_A_ADNA127_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)		 5uvm HISTIDINE TRIAD
(HIT) PROTEIN
(Ruminiclostridiu
m
thermocellum) 		7 / 10 PHE A   6
ILE A   9
ASP A  30
ILE A  31
LEU A  40
HIS A 100
HIS A 102
 None
UNX  A 209 ( 4.4A)
UNX  A 213 ( 3.0A)
UNX  A 217 ( 3.8A)
None
UNX  A 202 ( 3.6A)
UNX  A 203 ( 4.5A)
 0.67A 3o1cA-5uvmA:
20.1		 3o1cA-5uvmA:
34.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O1X_A_ADNA1450_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)		 5uvm HISTIDINE TRIAD
(HIT) PROTEIN
(Ruminiclostridiu
m
thermocellum) 		7 / 10 PHE A   6
ILE A   9
ASP A  30
ILE A  31
LEU A  40
HIS A 100
HIS A 102
 None
UNX  A 209 ( 4.4A)
UNX  A 213 ( 3.0A)
UNX  A 217 ( 3.8A)
None
UNX  A 202 ( 3.6A)
UNX  A 203 ( 4.5A)
 0.68A 3o1xA-5uvmA:
20.0		 3o1xA-5uvmA:
34.67
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.
3OHT_A_1N1A1000_2
(P38A)		 3cpf EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5A-1
(Homo
sapiens) 		3 / 3 GLU A 144
LEU A 112
LEU A 134
 UNX  A   5 (-3.9A)
UNX  A   1 (-4.1A)
None
 0.76A 3ohtA-3cpfA:
undetectable		 3ohtA-3cpfA:
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.
3OHT_B_1N1B1000_2
(P38A)		 3cpf EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5A-1
(Homo
sapiens) 		3 / 3 GLU A 144
LEU A 112
LEU A 134
 UNX  A   5 (-3.9A)
UNX  A   1 (-4.1A)
None
 0.76A 3ohtB-3cpfA:
undetectable		 3ohtB-3cpfA:
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.
3OXV_C_478C200_2
(HIV-1 PROTEASE)		 6b57 TUDOR AND KH
DOMAIN-CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 11 ARG A 512
VAL A 389
ILE A 359
GLY A 357
VAL A 356
 None
None
None
UNX  A 601 ( 4.1A)
None
 0.88A 3oxvD-6b57A:
undetectable		 3oxvD-6b57A:
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.
3PP7_B_SVRB499_1
(PYRUVATE KINASE)		 2hp3 IDS-EPIMERASE
(Agrobacterium
tumefaciens) 		5 / 10 PRO A 397
GLY A 373
TYR A 272
GLY A 280
ALA A 279
 None
UNX  A1212 ( 3.6A)
None
None
None
 1.40A 3pp7B-2hp3A:
undetectable		 3pp7B-2hp3A:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QGZ_A_ADNA127_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)		 5uvm HISTIDINE TRIAD
(HIT) PROTEIN
(Ruminiclostridiu
m
thermocellum) 		7 / 10 PHE A   6
ILE A   9
ASP A  30
ILE A  31
LEU A  40
HIS A 100
HIS A 102
 None
UNX  A 209 ( 4.4A)
UNX  A 213 ( 3.0A)
UNX  A 217 ( 3.8A)
None
UNX  A 202 ( 3.6A)
UNX  A 203 ( 4.5A)
 0.61A 3qgzA-5uvmA:
20.1		 3qgzA-5uvmA:
34.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R43_A_ID8A332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		5 / 12 TYR A  40
TRP A  73
HIS A 104
ASN A 156
TYR A 203
 UNX  A 402 (-4.4A)
None
UNX  A 402 (-4.1A)
NAP  A 400 (-3.4A)
NAP  A 400 (-3.2A)
 0.32A 3r43A-3krbA:
38.6		 3r43A-3krbA:
36.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R43_A_ID8A332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		5 / 12 TYR A  40
TRP A  73
HIS A 104
TYR A 203
PHE A 306
 UNX  A 402 (-4.4A)
None
UNX  A 402 (-4.1A)
NAP  A 400 (-3.2A)
None
 1.05A 3r43A-3krbA:
38.6		 3r43A-3krbA:
36.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		5 / 12 TYR A  40
TRP A  73
HIS A 104
ASN A 156
TYR A 203
 UNX  A 402 (-4.4A)
None
UNX  A 402 (-4.1A)
NAP  A 400 (-3.4A)
NAP  A 400 (-3.2A)
 0.29A 3r6iA-3krbA:
37.5		 3r6iA-3krbA:
36.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R6I_A_JMSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		5 / 12 TYR A  40
TRP A  73
HIS A 104
TYR A 203
PHE A 306
 UNX  A 402 (-4.4A)
None
UNX  A 402 (-4.1A)
NAP  A 400 (-3.2A)
None
 1.00A 3r6iA-3krbA:
37.5		 3r6iA-3krbA:
36.15
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.
3RNJ_A_EDTA1_0
(BRAIN-SPECIFIC
ANGIOGENESIS
INHIBITOR
1-ASSOCIATED PROTEIN
2)		 1khc DNA CYTOSINE-5
METHYLTRANSFERASE
3B2
(Mus
musculus) 		4 / 4 LYS A 315
ARG A 319
LEU A 235
ASP A 234
 UNX  A 177 (-2.8A)
UNX  A 172 (-4.2A)
None
None
 1.25A 3rnjA-1khcA:
2.5		 3rnjA-1khcA:
18.37
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.
3RQL_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2if6 HYPOTHETICAL PROTEIN
YIIX
(Escherichia
coli) 		4 / 8 GLU A 130
SER A 129
ARG A 143
VAL A 184
 UNX  A   1 (-2.2A)
None
None
None
 1.36A 3rqlA-2if6A:
undetectable
3rqlB-2if6A:
undetectable		 3rqlA-2if6A:
18.89
3rqlB-2if6A:
18.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RX3_A_SUZA317_1
(ALDOSE REDUCTASE)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		6 / 10 TRP A  12
VAL A  39
TYR A  40
HIS A 104
PHE A 118
CYH A 301
 UNX  A 402 (-4.3A)
None
UNX  A 402 (-4.4A)
UNX  A 402 (-4.1A)
None
NAP  A 400 ( 4.0A)
 1.11A 3rx3A-3krbA:
41.3		 3rx3A-3krbA:
40.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RX3_A_SUZA317_1
(ALDOSE REDUCTASE)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		6 / 10 TRP A  12
VAL A  39
TYR A  40
HIS A 104
TRP A 105
CYH A 301
 UNX  A 402 (-4.3A)
None
UNX  A 402 (-4.4A)
UNX  A 402 (-4.1A)
NAP  A 400 ( 4.3A)
NAP  A 400 ( 4.0A)
 0.50A 3rx3A-3krbA:
41.3		 3rx3A-3krbA:
40.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S3G_A_TLTA317_1
(ALDOSE REDUCTASE)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		5 / 7 TRP A  12
TYR A  40
HIS A 104
PHE A 118
CYH A 301
 UNX  A 402 (-4.3A)
UNX  A 402 (-4.4A)
UNX  A 402 (-4.1A)
None
NAP  A 400 ( 4.0A)
 1.19A 3s3gA-3krbA:
41.3		 3s3gA-3krbA:
40.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3S3G_A_TLTA317_1
(ALDOSE REDUCTASE)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		5 / 7 TRP A  12
TYR A  40
HIS A 104
TRP A 105
CYH A 301
 UNX  A 402 (-4.3A)
UNX  A 402 (-4.4A)
UNX  A 402 (-4.1A)
NAP  A 400 ( 4.3A)
NAP  A 400 ( 4.0A)
 0.52A 3s3gA-3krbA:
41.3		 3s3gA-3krbA:
40.92
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.
3S56_A_ROCA201_1
(PROTEASE)		 3cpf EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5A-1
(Homo
sapiens) 		5 / 12 GLY A 130
ASP A 128
ILE A 123
GLY A  93
ILE A  92
 UNX  A   4 ( 3.7A)
None
None
None
None
 1.08A 3s56A-3cpfA:
undetectable		 3s56A-3cpfA:
21.90
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.
3SAN_A_ZMRA901_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.29A 3sanA-3lp8A:
undetectable		 3sanA-3lp8A:
20.26
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.
3SAN_B_ZMRB901_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.28A 3sanB-3lp8A:
undetectable		 3sanB-3lp8A:
20.26
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.
3SP9_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		 3jzy INTERSECTIN 2
(Homo
sapiens) 		5 / 12 LEU A1604
CYH A1566
THR A1577
ILE A1580
VAL A1656
 None
None
UNX  A   2 ( 4.7A)
None
None
 1.29A 3sp9A-3jzyA:
undetectable		 3sp9A-3jzyA:
21.79
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.
3T7S_A_SAMA300_0
(PUTATIVE
METHYLTRANSFERASE)		 6dub -
(-) 		5 / 12 ARG A 129
GLY A 124
GLY A 126
ASP A 146
SER A 173
 SAH  A 301 (-3.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.0A)
SAH  A 301 (-2.8A)
UNX  A 311 (-4.0A)
 0.82A 3t7sA-6dubA:
17.0		 3t7sA-6dubA:
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.
3T7S_B_SAMB300_0
(PUTATIVE
METHYLTRANSFERASE)		 1khc DNA CYTOSINE-5
METHYLTRANSFERASE
3B2
(Mus
musculus) 		5 / 12 GLN A 269
GLY A 272
GLY A 274
ASP A 273
ALA A 308
 UNX  A 166 (-3.8A)
UNX  A 164 (-3.9A)
UNX  A 166 ( 3.6A)
None
None
 1.28A 3t7sB-1khcA:
undetectable		 3t7sB-1khcA:
19.22
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.
3T7S_B_SAMB300_0
(PUTATIVE
METHYLTRANSFERASE)		 1khc DNA CYTOSINE-5
METHYLTRANSFERASE
3B2
(Mus
musculus) 		5 / 12 GLN A 269
GLY A 272
GLY A 274
ASP A 273
SER A 304
 UNX  A 166 (-3.8A)
UNX  A 164 (-3.9A)
UNX  A 166 ( 3.6A)
None
None
 1.34A 3t7sB-1khcA:
undetectable		 3t7sB-1khcA:
19.22
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.
3T7S_B_SAMB300_0
(PUTATIVE
METHYLTRANSFERASE)		 6dub -
(-) 		5 / 12 ARG A 129
GLY A 124
GLY A 126
ASP A 146
SER A 173
 SAH  A 301 (-3.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.0A)
SAH  A 301 (-2.8A)
UNX  A 311 (-4.0A)
 0.80A 3t7sB-6dubA:
17.4		 3t7sB-6dubA:
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.
3T7S_D_SAMD300_0
(PUTATIVE
METHYLTRANSFERASE)		 1khc DNA CYTOSINE-5
METHYLTRANSFERASE
3B2
(Mus
musculus) 		5 / 12 GLN A 269
GLY A 272
GLY A 274
ASP A 273
ALA A 308
 UNX  A 166 (-3.8A)
UNX  A 164 (-3.9A)
UNX  A 166 ( 3.6A)
None
None
 1.27A 3t7sD-1khcA:
undetectable		 3t7sD-1khcA:
19.22
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.
3T7S_D_SAMD300_0
(PUTATIVE
METHYLTRANSFERASE)		 6dub -
(-) 		5 / 12 ARG A 129
GLY A 124
GLY A 126
ASP A 146
SER A 173
 SAH  A 301 (-3.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.0A)
SAH  A 301 (-2.8A)
UNX  A 311 (-4.0A)
 0.77A 3t7sD-6dubA:
17.3		 3t7sD-6dubA:
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.
3TI5_A_ZMRA1002_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.28A 3ti5A-3lp8A:
undetectable		 3ti5A-3lp8A:
20.82
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.
3TI5_B_ZMRB1002_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.29A 3ti5B-3lp8A:
undetectable		 3ti5B-3lp8A:
20.82
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.
3TIC_A_ZMRA1002_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.27A 3ticA-3lp8A:
undetectable		 3ticA-3lp8A:
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.
3TIC_B_ZMRB1002_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.27A 3ticB-3lp8A:
undetectable		 3ticB-3lp8A:
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.
3TIC_C_ZMRC1002_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.27A 3ticC-3lp8A:
undetectable		 3ticC-3lp8A:
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.
3TIC_D_ZMRD1002_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.26A 3ticD-3lp8A:
undetectable		 3ticD-3lp8A:
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.
3TJ7_C_ACTC608_0
(GBAA_1210 PROTEIN)		 1yem CONSERVED
HYPOTHETICAL PROTEIN
PFU-838710-001
(Pyrococcus
furiosus) 		4 / 5 GLU A  72
ARG A 102
ARG A  47
GLU A  74
 UNX  A 205 ( 4.0A)
UNX  A 204 (-3.6A)
UNX  A 205 ( 3.8A)
UNX  A 205 ( 4.9A)
 0.96A 3tj7C-1yemA:
13.5		 3tj7C-1yemA:
23.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U2C_A_SUZA2001_1
(ALDOSE REDUCTASE)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		6 / 9 TRP A  12
VAL A  39
TYR A  40
HIS A 104
PHE A 118
CYH A 301
 UNX  A 402 (-4.3A)
None
UNX  A 402 (-4.4A)
UNX  A 402 (-4.1A)
None
NAP  A 400 ( 4.0A)
 1.05A 3u2cA-3krbA:
41.6		 3u2cA-3krbA:
40.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U2C_A_SUZA2001_1
(ALDOSE REDUCTASE)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		6 / 9 TRP A  12
VAL A  39
TYR A  40
HIS A 104
TRP A 105
CYH A 301
 UNX  A 402 (-4.3A)
None
UNX  A 402 (-4.4A)
UNX  A 402 (-4.1A)
NAP  A 400 ( 4.3A)
NAP  A 400 ( 4.0A)
 0.55A 3u2cA-3krbA:
41.6		 3u2cA-3krbA:
40.71
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.
3UA5_A_06XA501_1
(CYTOCHROME P450 2B6)		 2o1z RIBONUCLEOTIDE
REDUCTASE SUBUNIT R2
(Plasmodium
vivax) 		4 / 8 ILE A  32
ILE A 184
PHE A 180
VAL A  50
 None
None
None
UNX  A2001 (-4.3A)
 0.82A 3ua5A-2o1zA:
undetectable		 3ua5A-2o1zA:
21.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UG8_A_IMNA2001_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		6 / 12 TYR A  40
TRP A  73
HIS A 104
ASN A 156
TYR A 203
SER A 204
 UNX  A 402 (-4.4A)
None
UNX  A 402 (-4.1A)
NAP  A 400 (-3.4A)
NAP  A 400 (-3.2A)
NAP  A 400 (-2.6A)
 0.40A 3ug8A-3krbA:
37.7		 3ug8A-3krbA:
36.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UY4_A_PAUA302_0
(PANTOTHENATE
SYNTHETASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		6 / 8 ARG A 121
HIS A 124
VAL A 128
VAL A 132
ASP A 150
ARG A 187
 UNX  A 303 ( 3.3A)
UNX  A 302 ( 4.5A)
ATP  A 300 ( 4.5A)
None
ATP  A 300 (-3.6A)
UNX  A 303 ( 3.2A)
 1.46A 3uy4A-3innA:
40.7		 3uy4A-3innA:
39.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UY4_A_PAUA302_0
(PANTOTHENATE
SYNTHETASE)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		8 / 8 GLN A  61
ARG A 121
HIS A 124
VAL A 128
VAL A 131
ASP A 150
GLN A 153
ARG A 187
 ATP  A 300 (-3.1A)
UNX  A 303 ( 3.3A)
UNX  A 302 ( 4.5A)
ATP  A 300 ( 4.5A)
None
ATP  A 300 (-3.6A)
ATP  A 300 (-2.9A)
UNX  A 303 ( 3.2A)
 0.37A 3uy4A-3innA:
40.7		 3uy4A-3innA:
39.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3V35_A_NTIA317_1
(ALDOSE REDUCTASE)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		4 / 8 TRP A  12
TRP A  73
HIS A 104
PHE A 118
 UNX  A 402 (-4.3A)
None
UNX  A 402 (-4.1A)
None
 1.28A 3v35A-3krbA:
41.5		 3v35A-3krbA:
40.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3V35_A_NTIA317_1
(ALDOSE REDUCTASE)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		5 / 8 TRP A  12
VAL A  39
TRP A  73
HIS A 104
TRP A 105
 UNX  A 402 (-4.3A)
None
None
UNX  A 402 (-4.1A)
NAP  A 400 ( 4.3A)
 0.32A 3v35A-3krbA:
41.5		 3v35A-3krbA:
40.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3V35_A_NTIA317_1
(ALDOSE REDUCTASE)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		5 / 8 VAL A  39
TRP A  73
HIS A 104
TRP A 105
PHE A 109
 None
None
UNX  A 402 (-4.1A)
NAP  A 400 ( 4.3A)
None
 1.23A 3v35A-3krbA:
41.5		 3v35A-3krbA:
40.92
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.
3W68_D_VIVD301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 2ayv UBIQUITIN-CONJUGATIN
G ENZYME E2
(Toxoplasma
gondii) 		5 / 12 LEU A  89
ILE A   6
ILE A  99
VAL A 102
LEU A 103
 None
None
UNX  A 153 (-4.9A)
None
None
 1.03A 3w68D-2ayvA:
undetectable		 3w68D-2ayvA:
20.85
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.
3W9T_A_W9TA1004_1
(HEMOLYTIC LECTIN
CEL-III)		 3dlj BETA-ALA-HIS
DIPEPTIDASE
(Homo
sapiens) 		4 / 5 ASP A 331
GLU A 327
GLY A 328
GLU A 332
 UNX  A2007 (-2.7A)
None
None
UNX  A2007 (-4.0A)
 1.14A 3w9tA-3dljA:
undetectable		 3w9tA-3dljA:
24.02
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.
3W9T_B_W9TB502_1
(HEMOLYTIC LECTIN
CEL-III)		 3dlj BETA-ALA-HIS
DIPEPTIDASE
(Homo
sapiens) 		4 / 6 ASP A 331
GLU A 327
GLY A 328
GLU A 332
 UNX  A2007 (-2.7A)
None
None
UNX  A2007 (-4.0A)
 1.14A 3w9tB-3dljA:
undetectable		 3w9tB-3dljA:
24.02
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.
3W9T_D_W9TD512_1
(HEMOLYTIC LECTIN
CEL-III)		 3dlj BETA-ALA-HIS
DIPEPTIDASE
(Homo
sapiens) 		4 / 5 ASP A 331
GLU A 327
GLY A 328
GLU A 332
 UNX  A2007 (-2.7A)
None
None
UNX  A2007 (-4.0A)
 1.14A 3w9tD-3dljA:
undetectable		 3w9tD-3dljA:
24.02
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.
3W9T_F_W9TF503_1
(HEMOLYTIC LECTIN
CEL-III)		 3dlj BETA-ALA-HIS
DIPEPTIDASE
(Homo
sapiens) 		4 / 6 ASP A 331
GLU A 327
GLY A 328
GLU A 332
 UNX  A2007 (-2.7A)
None
None
UNX  A2007 (-4.0A)
 1.13A 3w9tF-3dljA:
undetectable		 3w9tF-3dljA:
24.02
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.
3WIP_G_ACTG305_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 4lg9 F-BOX-LIKE/WD
REPEAT-CONTAINING
PROTEIN TBL1XR1
(Homo
sapiens) 		3 / 3 ASP A 182
ARG A 513
LYS A 497
 UNX  A 616 ( 3.3A)
None
None
 1.07A 3wipG-4lg9A:
undetectable		 3wipG-4lg9A:
19.10
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.
3ZOD_A_HQEA1173_1
(FMN-BINDING PROTEIN)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 7 ASP A 289
ARG A 220
HIS A 263
HIS A  94
 UNX  A 608 ( 2.4A)
None
None
UNX  A 608 ( 3.4A)
 1.28A 3zodA-3t8lA:
undetectable		 3zodA-3t8lA:
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.
3ZQ8_B_DVAB8_0
(VAL-GRAMICIDIN A)		 3ow8 WD REPEAT-CONTAINING
PROTEIN 61
(Homo
sapiens) 		3 / 3 TRP A 278
VAL A  22
TRP A  20
 None
UNX  A 307 ( 4.4A)
None
 1.01A 3zq8A-3ow8A:
undetectable
3zq8B-3ow8A:
undetectable		 3zq8A-3ow8A:
11.11
3zq8B-3ow8A:
11.11
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.
4A83_A_DXCA1160_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		 1obp ODORANT-BINDING
PROTEIN
(Bos
taurus) 		5 / 12 PHE A  40
PHE A  56
LEU A  10
ILE A  91
ALA A  71
 UNX  A 163 (-4.4A)
UNX  A 194 (-4.1A)
None
None
UNX  A 170 ( 4.0A)
 1.36A 4a83A-1obpA:
2.3		 4a83A-1obpA:
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.
4A97_A_ZPCA1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2ija ARYLAMINE
N-ACETYLTRANSFERASE
1
(Homo
sapiens) 		4 / 7 TYR A  94
VAL A  93
ILE A 106
GLU A 182
 UNX  A 502 (-4.3A)
None
None
None
 1.07A 4a97E-2ijaA:
undetectable		 4a97E-2ijaA:
24.79
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.
4A97_I_ZPCI1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2ija ARYLAMINE
N-ACETYLTRANSFERASE
1
(Homo
sapiens) 		4 / 7 TYR A  94
VAL A  93
ILE A 106
GLU A 182
 UNX  A 502 (-4.3A)
None
None
None
 1.08A 4a97H-2ijaA:
undetectable		 4a97H-2ijaA:
24.79
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.
4A97_J_ZPCJ1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2ija ARYLAMINE
N-ACETYLTRANSFERASE
1
(Homo
sapiens) 		4 / 8 TYR A  94
VAL A  93
ILE A 106
GLU A 182
 UNX  A 502 (-4.3A)
None
None
None
 1.04A 4a97I-2ijaA:
undetectable		 4a97I-2ijaA:
24.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A9K_A_TYLA2200_1
(CREB-BINDING PROTEIN)		 6cw0 CGD2_2690 PROTEIN
(Cryptosporidium
parvum) 		5 / 6 VAL A  30
LEU A  35
TYR A  82
ASN A  83
VAL A  89
 R78  A 201 (-4.5A)
R78  A 201 (-4.9A)
UNX  A 203 ( 4.1A)
R78  A 201 (-3.3A)
UNX  A 205 ( 4.1A)
 0.47A 4a9kA-6cw0A:
17.9		 4a9kA-6cw0A:
38.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A9K_B_TYLB2198_1
(CREB-BINDING PROTEIN)		 6cw0 CGD2_2690 PROTEIN
(Cryptosporidium
parvum) 		4 / 5 VAL A  30
LEU A  35
ASN A  83
VAL A  89
 R78  A 201 (-4.5A)
R78  A 201 (-4.9A)
R78  A 201 (-3.3A)
UNX  A 205 ( 4.1A)
 0.53A 4a9kB-6cw0A:
18.1		 4a9kB-6cw0A:
38.20
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		6 / 12 HIS A 239
GLU A 242
GLU A 216
HIS A 266
SER A 293
ASP A 323
 CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
None
None
CO  A1000 (-2.7A)
 0.58A 4aqlA-2amxA:
3.8		 4aqlA-2amxA:
25.05
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.
4AZS_A_SAMA1475_1
(METHYLTRANSFERASE
WBDD)		 4jxt REGULATION OF
NUCLEAR PRE-MRNA
DOMAIN-CONTAINING
PROTEIN 1A
(Homo
sapiens) 		3 / 3 ARG A 106
ASP A  65
GLN A  24
 None
UNX  A 205 (-2.9A)
UNX  A 205 ( 4.7A)
 0.82A 4azsA-4jxtA:
undetectable		 4azsA-4jxtA:
13.26
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.
4B7N_A_ZMRA601_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.32A 4b7nA-3lp8A:
undetectable		 4b7nA-3lp8A:
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.
4B7Q_A_ZMRA601_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.26A 4b7qA-3lp8A:
undetectable		 4b7qA-3lp8A:
21.90
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.
4B7Q_B_ZMRB601_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.33A 4b7qB-3lp8A:
undetectable		 4b7qB-3lp8A:
21.90
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.
4B7Q_D_ZMRD601_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.32A 4b7qD-3lp8A:
undetectable		 4b7qD-3lp8A:
21.90
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.
4BLV_A_SAMA1281_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 6 HIS A 239
HIS A 122
ASP A 304
ASP A 290
 UNX  A 606 ( 3.6A)
UNX  A 607 ( 3.5A)
None
None
 1.13A 4blvA-3t8lA:
undetectable		 4blvA-3t8lA:
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.
4C49_A_HCYA1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 5wde KINESIN-LIKE PROTEIN
KIFC3
(Homo
sapiens) 		5 / 12 SER A 746
VAL A 452
ILE A 479
SER A 489
PHE A 471
 None
None
None
UNX  A 920 ( 4.4A)
None
 1.12A 4c49A-5wdeA:
undetectable		 4c49A-5wdeA:
22.11
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.
4C49_C_HCYC1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 5wde KINESIN-LIKE PROTEIN
KIFC3
(Homo
sapiens) 		5 / 12 SER A 746
VAL A 452
ILE A 479
SER A 489
PHE A 471
 None
None
None
UNX  A 920 ( 4.4A)
None
 1.38A 4c49C-5wdeA:
undetectable		 4c49C-5wdeA:
22.11
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.
4C49_D_HCYD1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 5wde KINESIN-LIKE PROTEIN
KIFC3
(Homo
sapiens) 		5 / 12 SER A 746
VAL A 452
ILE A 479
SER A 489
PHE A 471
 None
None
None
UNX  A 920 ( 4.4A)
None
 1.34A 4c49D-5wdeA:
undetectable		 4c49D-5wdeA:
22.11
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.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 5c5u PROLYL 4-HYDROXYLASE
(Paramecium
bursaria
Chlorella
virus
1) 		5 / 11 GLY A 184
ASP A 187
ALA A 222
GLY A 223
HIS A 151
 None
None
None
UNX  A 302 ( 3.5A)
None
 0.98A 4c5lA-5c5uA:
undetectable		 4c5lA-5c5uA:
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.
4C5L_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 5c5u PROLYL 4-HYDROXYLASE
(Paramecium
bursaria
Chlorella
virus
1) 		5 / 9 GLY A 184
ASP A 187
ALA A 222
GLY A 223
HIS A 151
 None
None
None
UNX  A 302 ( 3.5A)
None
 0.97A 4c5lB-5c5uA:
undetectable		 4c5lB-5c5uA:
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 5c5u PROLYL 4-HYDROXYLASE
(Paramecium
bursaria
Chlorella
virus
1) 		5 / 10 GLY A 184
ASP A 187
ALA A 222
GLY A 223
HIS A 151
 None
None
None
UNX  A 302 ( 3.5A)
None
 1.06A 4c5lC-5c5uA:
undetectable		 4c5lC-5c5uA:
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.
4C5L_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 5c5u PROLYL 4-HYDROXYLASE
(Paramecium
bursaria
Chlorella
virus
1) 		5 / 10 GLY A 184
ASP A 187
ALA A 222
GLY A 223
HIS A 151
 None
None
None
UNX  A 302 ( 3.5A)
None
 0.96A 4c5lD-5c5uA:
undetectable		 4c5lD-5c5uA:
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.
4C5N_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 5c5u PROLYL 4-HYDROXYLASE
(Paramecium
bursaria
Chlorella
virus
1) 		5 / 10 GLY A 184
ASP A 187
ALA A 222
GLY A 223
HIS A 151
 None
None
None
UNX  A 302 ( 3.5A)
None
 0.95A 4c5nB-5c5uA:
undetectable		 4c5nB-5c5uA:
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 5c5u PROLYL 4-HYDROXYLASE
(Paramecium
bursaria
Chlorella
virus
1) 		5 / 10 GLY A 184
ASP A 187
ALA A 222
GLY A 223
HIS A 151
 None
None
None
UNX  A 302 ( 3.5A)
None
 0.97A 4c5nD-5c5uA:
undetectable		 4c5nD-5c5uA:
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.
4CAR_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1
(Homo
sapiens) 		4 / 6 VAL A  67
ARG A  44
PHE A 134
GLU A 142
 None
UNX  A 305 (-4.1A)
None
None
 1.49A 4carA-3c5hA:
0.0
4carB-3c5hA:
0.4		 4carA-3c5hA:
18.81
4carB-3c5hA:
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.
4CPZ_C_ZMRC1470_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.28A 4cpzC-3lp8A:
undetectable		 4cpzC-3lp8A:
22.05
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.
4CPZ_D_ZMRD1471_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.23A 4cpzD-3lp8A:
undetectable		 4cpzD-3lp8A:
22.05
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.
4CTY_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1
(Homo
sapiens) 		4 / 6 VAL A  67
ARG A  44
PHE A 134
GLU A 142
 None
UNX  A 305 (-4.1A)
None
None
 1.49A 4ctyA-3c5hA:
0.0
4ctyB-3c5hA:
0.0		 4ctyA-3c5hA:
18.81
4ctyB-3c5hA:
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.
4CTZ_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1
(Homo
sapiens) 		4 / 6 VAL A  67
ARG A  44
PHE A 134
GLU A 142
 None
UNX  A 305 (-4.1A)
None
None
 1.47A 4ctzA-3c5hA:
0.5
4ctzB-3c5hA:
0.0		 4ctzA-3c5hA:
18.81
4ctzB-3c5hA:
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.
4CU0_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1
(Homo
sapiens) 		4 / 6 VAL A  67
ARG A  44
PHE A 134
GLU A 142
 None
UNX  A 305 (-4.1A)
None
None
 1.49A 4cu0A-3c5hA:
undetectable
4cu0B-3c5hA:
undetectable		 4cu0A-3c5hA:
18.81
4cu0B-3c5hA:
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.
4D39_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1
(Homo
sapiens) 		4 / 6 VAL A  67
ARG A  44
PHE A 134
GLU A 142
 None
UNX  A 305 (-4.1A)
None
None
 1.49A 4d39A-3c5hA:
undetectable
4d39B-3c5hA:
undetectable		 4d39A-3c5hA:
18.81
4d39B-3c5hA:
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.
4E1V_F_URFF1301_1
(URIDINE
PHOSPHORYLASE)		 2nzt HEXOKINASE-2
(Homo
sapiens) 		4 / 6 GLY A 250
ARG A  69
ILE A 245
VAL A 248
 UNX  A1009 ( 4.1A)
None
UNX  A1009 ( 4.6A)
UNX  A1009 (-4.9A)
 1.16A 4e1vF-2nztA:
undetectable		 4e1vF-2nztA:
15.15
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.
4EYS_A_ACTA402_0
(MCCC FAMILY PROTEIN)		 1y82 HYPOTHETICAL PROTEIN
(Pyrococcus
furiosus) 		4 / 6 SER A  11
ASP A  10
ASP A 116
ARG A 119
 UNX  A 333 ( 3.0A)
UNX  A 333 ( 3.5A)
None
None
 1.25A 4eysA-1y82A:
2.5		 4eysA-1y82A:
20.92
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.
4F4D_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2iv2 FORMATE
DEHYDROGENASE H
(Escherichia
coli) 		4 / 8 PRO X 331
VAL X 309
MET X 297
TRP X 295
 None
None
UNX  X 804 (-3.8A)
None
 1.05A 4f4dB-2iv2X:
undetectable		 4f4dB-2iv2X:
19.00
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.
4FAK_A_SAMA201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		 4yvd PLEIOTROPIC
REGULATOR 1
(Homo
sapiens) 		5 / 10 ILE A 406
ILE A 395
GLY A 444
THR A 386
PHE A 387
 None
None
None
UNX  A 607 ( 3.5A)
None
 0.97A 4fakA-4yvdA:
undetectable		 4fakA-4yvdA:
17.11
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.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1yem CONSERVED
HYPOTHETICAL PROTEIN
PFU-838710-001
(Pyrococcus
furiosus) 		4 / 7 ASP A 125
ASP A  33
ASN A 115
GLU A   4
 None
None
None
UNX  A 204 ( 4.9A)
 1.19A 4feuB-1yemA:
undetectable		 4feuB-1yemA:
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.
4FGZ_A_CQAA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 5wdh KINESIN-LIKE PROTEIN
KIFC1
(Homo
sapiens) 		4 / 7 GLU A 386
ARG A 316
GLY A 432
ARG A 436
 None
ADP  A 801 (-3.6A)
None
UNX  A 805 ( 2.9A)
 0.92A 4fgzA-5wdhA:
undetectable		 4fgzA-5wdhA:
17.05
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.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 3ijp DIHYDRODIPICOLINATE
REDUCTASE
(Bartonella
henselae) 		5 / 11 SER A 236
ILE A 237
LEU A 131
ASP A 214
GLY A 213
 None
None
None
None
UNX  A 268 ( 3.9A)
 1.04A 4fogA-3ijpA:
undetectable		 4fogA-3ijpA:
23.60
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.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 3ijp DIHYDRODIPICOLINATE
REDUCTASE
(Bartonella
henselae) 		5 / 12 SER A 236
ILE A 237
LEU A 131
ASP A 214
GLY A 213
 None
None
None
None
UNX  A 268 ( 3.9A)
 0.98A 4foxA-3ijpA:
undetectable		 4foxA-3ijpA:
23.60
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.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 3ijp DIHYDRODIPICOLINATE
REDUCTASE
(Bartonella
henselae) 		5 / 12 SER A 236
ILE A 237
LEU A 131
ASP A 214
GLY A 213
 None
None
None
None
UNX  A 268 ( 3.9A)
 0.99A 4foxB-3ijpA:
undetectable		 4foxB-3ijpA:
23.60
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.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 3ijp DIHYDRODIPICOLINATE
REDUCTASE
(Bartonella
henselae) 		5 / 12 SER A 236
ILE A 237
LEU A 131
ASP A 214
GLY A 213
 None
None
None
None
UNX  A 268 ( 3.9A)
 0.98A 4foxG-3ijpA:
undetectable		 4foxG-3ijpA:
23.60
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.
4FR0_A_SAMA401_0
(ARSENIC
METHYLTRANSFERASE)		 2ayv UBIQUITIN-CONJUGATIN
G ENZYME E2
(Toxoplasma
gondii) 		5 / 12 GLY A  82
LEU A 119
ILE A 106
ASN A  53
VAL A  67
 None
UNX  A 154 (-4.9A)
None
None
None
 0.99A 4fr0A-2ayvA:
undetectable		 4fr0A-2ayvA:
19.10
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)		 2ayv UBIQUITIN-CONJUGATIN
G ENZYME E2
(Toxoplasma
gondii) 		5 / 11 ILE A 106
ILE A  99
ILE A  37
ALA A  23
VAL A  67
 None
UNX  A 153 (-4.9A)
None
None
None
 1.01A 4h1nA-2ayvA:
undetectable		 4h1nA-2ayvA:
16.18
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.
4H9M_A_HAEA929_1
(UREASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 5 HIS A  92
HIS A 218
HIS A 239
ASP A 289
 UNX  A 608 ( 3.2A)
UNX  A 606 ( 3.2A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
 0.97A 4h9mA-3t8lA:
21.7		 4h9mA-3t8lA:
23.00
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.
4HTF_A_ACTA303_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 3qwe GEM-INTERACTING
PROTEIN
(Homo
sapiens) 		3 / 3 TYR A 150
HIS A 145
ARG A 344
 UNX  A  22 ( 4.6A)
None
UNX  A  19 ( 4.9A)
 0.77A 4htfA-3qweA:
undetectable		 4htfA-3qweA:
23.19
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.
4J14_A_X2NA602_1
(CHOLESTEROL
24-HYDROXYLASE)		 4rg1 C9ORF114
(Homo
sapiens) 		5 / 10 ALA A 321
LEU A 270
PHE A 115
VAL A 273
THR A 289
 UNX  A 404 ( 3.9A)
None
None
None
SAH  A 401 (-3.8A)
 0.96A 4j14A-4rg1A:
undetectable		 4j14A-4rg1A:
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.
4JJK_A_FOLA601_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		 3ihw CENTG3
(Homo
sapiens) 		4 / 8 ASN A 187
ALA A 188
PRO A 192
LEU A 182
 None
None
UNX  A   3 ( 4.1A)
None
 0.96A 4jjkA-3ihwA:
6.5		 4jjkA-3ihwA:
14.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JQ1_B_NPSB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		4 / 8 VAL A  39
TYR A  40
TRP A  73
HIS A 104
 None
UNX  A 402 (-4.4A)
None
UNX  A 402 (-4.1A)
 0.48A 4jq1B-3krbA:
39.0		 4jq1B-3krbA:
35.86
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.
4JSL_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1
(Homo
sapiens) 		4 / 6 VAL A  67
ARG A  44
PHE A 134
GLU A 142
 None
UNX  A 305 (-4.1A)
None
None
 1.50A 4jslA-3c5hA:
0.0
4jslB-3c5hA:
0.0		 4jslA-3c5hA:
18.81
4jslB-3c5hA:
18.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JTR_A_IBPA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		4 / 8 VAL A  39
TYR A  40
TRP A  73
HIS A 104
 None
UNX  A 402 (-4.4A)
None
UNX  A 402 (-4.1A)
 0.25A 4jtrA-3krbA:
39.2		 4jtrA-3krbA:
35.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JTR_B_IZPB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		4 / 6 VAL A  39
TYR A  40
TRP A  73
HIS A 104
 None
UNX  A 402 (-4.4A)
None
UNX  A 402 (-4.1A)
 0.26A 4jtrB-3krbA:
39.3		 4jtrB-3krbA:
35.86
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.
4K0B_B_SAMB504_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		 2d1g ACID PHOSPHATASE
(Francisella
tularensis) 		5 / 8 HIS A 106
PRO A 174
ASP A 387
SER A 175
ASP A 208
 VO4  A 801 (-3.8A)
VO4  A 801 (-4.1A)
UNX  A 601 ( 2.6A)
UNX  A 601 ( 1.8A)
VO4  A 801 (-2.6A)
 1.47A 4k0bB-2d1gA:
undetectable		 4k0bB-2d1gA:
22.11
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.
4K5H_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1
(Homo
sapiens) 		4 / 6 VAL A  67
ARG A  44
PHE A 134
GLU A 142
 None
UNX  A 305 (-4.1A)
None
None
 1.49A 4k5hA-3c5hA:
undetectable
4k5hB-3c5hA:
undetectable		 4k5hA-3c5hA:
18.81
4k5hB-3c5hA:
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.
4K5J_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1
(Homo
sapiens) 		4 / 6 VAL A  67
ARG A  44
PHE A 134
GLU A 142
 None
UNX  A 305 (-4.1A)
None
None
 1.49A 4k5jA-3c5hA:
undetectable
4k5jB-3c5hA:
undetectable		 4k5jA-3c5hA:
18.81
4k5jB-3c5hA:
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.
4K7G_B_ACTB902_0
(3-HYDROXYPROLINE
DEHYDRATSE)		 2d1g ACID PHOSPHATASE
(Francisella
tularensis) 		4 / 7 ASP A 389
ASP A 387
SER A 175
HIS A 350
 None
UNX  A 601 ( 2.6A)
UNX  A 601 ( 1.8A)
VO4  A 801 (-3.8A)
 1.17A 4k7gB-2d1gA:
undetectable		 4k7gB-2d1gA:
20.71
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.
4KFA_A_ZOLA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
 1.09A 4kfaA-4fp4A:
20.5		 4kfaA-4fp4A:
23.90
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		 4ege DIPEPTIDASE PEPE
(Mycobacterium
ulcerans) 		3 / 3 GLY A 337
GLU A 335
THR A 304
 None
UNX  A 420 (-2.0A)
None
 0.56A 4kouA-4egeA:
undetectable		 4kouA-4egeA:
18.57
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.
4KPD_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
None
 1.07A 4kpdA-4fp4A:
20.8		 4kpdA-4fp4A:
23.90
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.
4KPD_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.12A 4kpdA-4fp4A:
20.8		 4kpdA-4fp4A:
23.90
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.
4KPD_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.00A 4kpdA-4fp4A:
20.8		 4kpdA-4fp4A:
23.90
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.
4KPJ_A_210A901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 9 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.14A 4kpjA-4fp4A:
20.3		 4kpjA-4fp4A:
24.22
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.
4KPJ_A_210A901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 9 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.05A 4kpjA-4fp4A:
20.3		 4kpjA-4fp4A:
24.22
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.
4KQ5_A_ZOLA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 0.94A 4kq5A-4fp4A:
20.4		 4kq5A-4fp4A:
24.22
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.
4KQ5_A_ZOLA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.18A 4kq5A-4fp4A:
20.4		 4kq5A-4fp4A:
24.22
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.
4KQ5_A_ZOLA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 LEU A  83
ASP A  86
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.11A 4kq5A-4fp4A:
20.4		 4kq5A-4fp4A:
24.22
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.
4KQS_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
None
 1.08A 4kqsA-4fp4A:
20.8		 4kqsA-4fp4A:
24.22
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.
4KQS_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.14A 4kqsA-4fp4A:
20.8		 4kqsA-4fp4A:
24.22
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.
4KQS_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.03A 4kqsA-4fp4A:
20.8		 4kqsA-4fp4A:
24.22
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.
4KTV_C_ADNC403_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 2d1g ACID PHOSPHATASE
(Francisella
tularensis) 		5 / 11 HIS A 106
PRO A 174
ASP A 387
ASP A 208
ILE A 285
 VO4  A 801 (-3.8A)
VO4  A 801 (-4.1A)
UNX  A 601 ( 2.6A)
VO4  A 801 (-2.6A)
None
 1.38A 4ktvC-2d1gA:
undetectable
4ktvD-2d1gA:
undetectable		 4ktvC-2d1gA:
21.97
4ktvD-2d1gA:
21.97
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.
4L7I_B_SAMB501_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		 2d1g ACID PHOSPHATASE
(Francisella
tularensis) 		5 / 8 HIS A 106
PRO A 174
ASP A 387
SER A 175
ASP A 208
 VO4  A 801 (-3.8A)
VO4  A 801 (-4.1A)
UNX  A 601 ( 2.6A)
UNX  A 601 ( 1.8A)
VO4  A 801 (-2.6A)
 1.44A 4l7iB-2d1gA:
undetectable		 4l7iB-2d1gA:
22.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LG1_B_SAMB301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 4lg1 PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D
(Homo
sapiens) 		9 / 12 TRP A  43
ALA A  45
GLY A  75
LEU A  97
LYS A 125
TRP A 126
ALA A 143
TYR A 148
GLU A 150
 SAM  A 301 (-3.6A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.4A)
UNX  A 306 (-4.2A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.6A)
SAM  A 301 ( 4.8A)
 1.27A 4lg1B-4lg1A:
39.7		 4lg1B-4lg1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LG1_B_SAMB301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 4lg1 PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D
(Homo
sapiens) 		11 / 12 TRP A  43
ALA A  46
GLY A  75
GLY A  77
LEU A  97
LEU A 100
LYS A 125
TRP A 126
ALA A 143
TYR A 148
GLU A 150
 SAM  A 301 (-3.6A)
SAM  A 301 (-3.2A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.4A)
SAM  A 301 ( 4.8A)
UNX  A 306 (-4.2A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.6A)
SAM  A 301 ( 4.8A)
 0.22A 4lg1B-4lg1A:
39.7		 4lg1B-4lg1A:
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.
4LMN_A_EUIA503_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 4q1z PUTATIVE LIPOPROTEIN
(Bacteroides
thetaiotaomicron) 		3 / 3 ASP A 238
VAL A 242
ASN A 227
 UNX  A 401 ( 3.0A)
None
None
 0.68A 4lmnA-4q1zA:
undetectable		 4lmnA-4q1zA:
21.41
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.
4M2V_A_BZ1A302_2
(CARBONIC ANHYDRASE 2)		 2wbi ACYL-COA
DEHYDROGENASE FAMILY
MEMBER 11
(Homo
sapiens) 		3 / 3 HIS A 283
VAL A 370
LEU A 290
 UNX  A1428 (-4.6A)
None
None
 0.76A 4m2vA-2wbiA:
undetectable		 4m2vA-2wbiA:
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.
4MWR_A_ZMRA513_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.30A 4mwrA-3lp8A:
undetectable		 4mwrA-3lp8A:
19.88
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.
4MWV_A_BCZA513_1
(NEURAMINIDASE)		 2pfr ARYLAMINE
N-ACETYLTRANSFERASE
2
(Homo
sapiens) 		3 / 3 ARG A  62
GLU A  49
ARG A  64
 UNX  A1004 (-4.2A)
None
UNX  A1004 (-4.0A)
 0.81A 4mwvA-2pfrA:
undetectable		 4mwvA-2pfrA:
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.
4MWX_A_ZMRA513_2
(NEURAMINIDASE)		 6d0s TBC1 DOMAIN FAMILY
MEMBER 22B
(Homo
sapiens) 		3 / 3 ARG A 216
TRP A 220
ILE A 424
 UNX  A 611 ( 4.2A)
None
None
 0.94A 4mwxA-6d0sA:
undetectable		 4mwxA-6d0sA:
14.15
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.
4N09_D_ADND401_2
(ADENOSINE KINASE)		 5wde KINESIN-LIKE PROTEIN
KIFC3
(Homo
sapiens) 		4 / 5 CYH A 523
SER A 732
LEU A 606
LEU A 725
 None
UNX  A 932 ( 2.7A)
None
None
 1.24A 4n09D-5wdeA:
undetectable		 4n09D-5wdeA:
20.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N16_A_CHDA301_0
(CARBONIC ANHYDRASE 2)		 2w2j CARBONIC
ANHYDRASE-RELATED
PROTEIN
(Homo
sapiens) 		4 / 8 ILE A 153
HIS A 118
HIS A 141
THR A 223
 UNX  A 603 ( 4.9A)
CL  A 401 (-4.2A)
CL  A 401 (-4.1A)
CL  A 401 ( 4.8A)
 0.84A 4n16A-2w2jA:
37.5		 4n16A-2w2jA:
39.19
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.
4N49_A_SAMA601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C
(Homo
sapiens) 		5 / 12 ALA A  95
GLY A 122
PRO A 123
GLY A 124
LEU A 142
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.2A)
None
UNX  A1016 ( 2.9A)
SAH  A1001 (-4.2A)
 0.65A 4n49A-4mtlA:
9.4		 4n49A-4mtlA:
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.
4N49_A_SAMA601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C
(Homo
sapiens) 		5 / 12 ALA A  95
GLY A 122
PRO A 123
GLY A 124
LEU A 205
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.2A)
None
UNX  A1016 ( 2.9A)
None
 1.03A 4n49A-4mtlA:
9.4		 4n49A-4mtlA:
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.
4N9U_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 1.02A 4n9uA-4fp4A:
20.8		 4n9uA-4fp4A:
23.96
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.
4N9U_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 ASP A  86
ASP A  90
ARG A  95
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
None
None
 0.90A 4n9uA-4fp4A:
20.8		 4n9uA-4fp4A:
23.96
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.
4N9U_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 LEU A  83
ASP A  86
ASP A  90
ARG A  95
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
None
 0.78A 4n9uA-4fp4A:
20.8		 4n9uA-4fp4A:
23.96
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.
4NG6_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 12 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
None
 0.86A 4ng6A-4fp4A:
20.4		 4ng6A-4fp4A:
23.96
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.
4NG6_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 12 LEU A  83
ASP A  86
ASP A  90
ARG A  95
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
None
 0.69A 4ng6A-4fp4A:
20.4		 4ng6A-4fp4A:
23.96
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.
4NKE_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 0.97A 4nkeA-4fp4A:
20.6		 4nkeA-4fp4A:
24.22
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.
4NKE_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 ASP A  86
ASP A  90
ARG A  95
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
None
None
 0.89A 4nkeA-4fp4A:
20.6		 4nkeA-4fp4A:
24.22
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.
4NKE_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.02A 4nkeA-4fp4A:
20.6		 4nkeA-4fp4A:
24.22
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.
4NKF_A_210A404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 9 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.14A 4nkfA-4fp4A:
20.7		 4nkfA-4fp4A:
24.22
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.
4NKF_A_210A404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 9 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.05A 4nkfA-4fp4A:
20.7		 4nkfA-4fp4A:
24.22
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.
4NUA_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 0.95A 4nuaA-4fp4A:
20.7		 4nuaA-4fp4A:
24.48
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.
4NUA_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.13A 4nuaA-4fp4A:
20.7		 4nuaA-4fp4A:
24.48
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.
4NUA_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.04A 4nuaA-4fp4A:
20.7		 4nuaA-4fp4A:
24.48
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.
4OGU_A_210A405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 9 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.16A 4oguA-4fp4A:
20.3		 4oguA-4fp4A:
24.22
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.
4OGU_A_210A405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 9 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.07A 4oguA-4fp4A:
20.3		 4oguA-4fp4A:
24.22
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.
4OJB_A_198A1001_2
(ANDROGEN RECEPTOR)		 3kh0 RAL GUANINE
NUCLEOTIDE
DISSOCIATION
STIMULATOR
(Homo
sapiens) 		4 / 7 LEU A 849
ILE A 817
ILE A 802
VAL A 819
 None
UNX  A   1 ( 4.0A)
None
None
 0.69A 4ojbA-3kh0A:
undetectable		 4ojbA-3kh0A:
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.
4P0V_A_ZOLA401_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 9 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
None
 1.03A 4p0vA-4fp4A:
20.9		 4p0vA-4fp4A:
24.31
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.
4P0V_A_ZOLA401_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 9 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.14A 4p0vA-4fp4A:
20.9		 4p0vA-4fp4A:
24.31
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.
4P0W_A_ZOLA501_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 11 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 0.89A 4p0wA-4fp4A:
20.9		 4p0wA-4fp4A:
24.24
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.
4P0W_A_ZOLA501_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 11 ASP A  86
ASP A  90
GLN A 147
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
GER  A 301 ( 4.7A)
None
None
 1.08A 4p0wA-4fp4A:
20.9		 4p0wA-4fp4A:
24.24
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.
4P0W_A_ZOLA501_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 11 ASP A  86
ASP A  90
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
GER  A 301 ( 4.8A)
None
None
 1.19A 4p0wA-4fp4A:
20.9		 4p0wA-4fp4A:
24.24
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.
4P0W_A_ZOLA501_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 11 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.06A 4p0wA-4fp4A:
20.9		 4p0wA-4fp4A:
24.24
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.
4PAE_A_NIZA804_1
(CATALASE-PEROXIDASE)		 2hp3 IDS-EPIMERASE
(Agrobacterium
tumefaciens) 		4 / 6 PHE A 193
ASP A  88
HIS A  99
THR A 152
 UNX  A1206 (-4.5A)
None
UNX  A1201 (-3.6A)
UNX  A1207 ( 4.9A)
 1.37A 4paeA-2hp3A:
undetectable		 4paeA-2hp3A:
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.
4PAE_A_NIZA804_1
(CATALASE-PEROXIDASE)		 4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C
(Homo
sapiens) 		4 / 6 PHE A 180
TYR A 211
LEU A 212
THR A 138
 None
UNX  A1009 ( 4.9A)
None
None
 1.28A 4paeA-4mtlA:
undetectable		 4paeA-4mtlA:
16.08
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		 3dlj BETA-ALA-HIS
DIPEPTIDASE
(Homo
sapiens) 		5 / 11 HIS A 106
ASP A 139
GLU A 173
GLU A 174
HIS A 452
 ZN  A2002 (-3.2A)
ZN  A2001 ( 2.4A)
UNX  A2004 ( 3.2A)
ZN  A2001 (-2.1A)
ZN  A2001 (-3.2A)
 0.28A 4pqaA-3dljA:
32.5		 4pqaA-3dljA:
27.13
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.
4Q23_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 ASP A  86
ASP A  90
ARG A  95
LYS A 162
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.21A 4q23A-4fp4A:
19.0		 4q23A-4fp4A:
23.90
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.
4Q23_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 10 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
 1.10A 4q23A-4fp4A:
19.0		 4q23A-4fp4A:
23.90
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.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		5 / 12 HIS A  57
HIS A 239
GLU A 242
LEU A 297
ASP A 323
 CO  A1000 (-3.2A)
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
 0.33A 4r88B-2amxA:
22.0		 4r88B-2amxA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_C_1LDC501_0
(CYTOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		5 / 12 HIS A  57
HIS A 239
GLU A 242
LEU A 297
ASP A 323
 CO  A1000 (-3.2A)
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
 0.34A 4r88C-2amxA:
21.7		 4r88C-2amxA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_D_1LDD501_0
(CYTOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		5 / 12 HIS A  57
HIS A 239
GLU A 242
LEU A 297
ASP A 323
 CO  A1000 (-3.2A)
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
 0.33A 4r88D-2amxA:
19.2		 4r88D-2amxA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_E_1LDE501_0
(CYTOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		5 / 12 HIS A  57
HIS A 239
GLU A 242
LEU A 297
ASP A 323
 CO  A1000 (-3.2A)
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
 0.34A 4r88E-2amxA:
21.7		 4r88E-2amxA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_F_1LDF502_0
(CYTOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		5 / 12 HIS A  57
HIS A 239
GLU A 242
LEU A 297
ASP A 323
 CO  A1000 (-3.2A)
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
 0.34A 4r88F-2amxA:
22.0		 4r88F-2amxA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RXD_A_RISA1404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
None
 1.13A 4rxdA-4fp4A:
20.1		 4rxdA-4fp4A:
23.38
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.
4RXD_A_RISA1404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.14A 4rxdA-4fp4A:
20.1		 4rxdA-4fp4A:
23.38
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.
4RXD_A_RISA1404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.04A 4rxdA-4fp4A:
20.1		 4rxdA-4fp4A:
23.38
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.
4RXD_B_RISB1504_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
None
 1.12A 4rxdB-4fp4A:
20.4		 4rxdB-4fp4A:
23.38
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.
4RXD_B_RISB1504_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.13A 4rxdB-4fp4A:
20.4		 4rxdB-4fp4A:
23.38
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.
4RXD_B_RISB1504_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.04A 4rxdB-4fp4A:
20.4		 4rxdB-4fp4A:
23.38
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.
4RXD_C_RISC1600_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
None
 1.13A 4rxdC-4fp4A:
20.4		 4rxdC-4fp4A:
23.38
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.
4RXD_C_RISC1600_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.14A 4rxdC-4fp4A:
20.4		 4rxdC-4fp4A:
23.38
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.
4RXD_C_RISC1600_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 10 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.04A 4rxdC-4fp4A:
20.4		 4rxdC-4fp4A:
23.38
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.
4S0V_A_SUVA2001_1
(HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE)		 4yvd PLEIOTROPIC
REGULATOR 1
(Homo
sapiens) 		5 / 12 VAL A 450
THR A 420
VAL A 379
ILE A 416
HIS A 412
 None
UNX  A 615 ( 3.8A)
UNX  A 617 ( 4.1A)
None
None
 1.33A 4s0vA-4yvdA:
undetectable		 4s0vA-4yvdA:
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.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 6 HIS A  92
HIS A  94
HIS A 218
HIS A 239
ASP A 289
 UNX  A 608 ( 3.2A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.2A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
 1.01A 4ubpC-3t8lA:
20.2		 4ubpC-3t8lA:
25.67
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.
4UMJ_A_BFQA1297_1
(GERANYLTRANSTRANSFER
ASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 8 SER A  82
ASP A  86
ASP A  90
ARG A  95
GLN A 147
 GER  A 301 (-4.5A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
 0.71A 4umjA-4fp4A:
24.8		 4umjA-4fp4A:
29.71
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.
4UMJ_A_BFQA1297_1
(GERANYLTRANSTRANSFER
ASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 8 SER A  82
LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
 GER  A 301 (-4.5A)
UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
 0.92A 4umjA-4fp4A:
24.8		 4umjA-4fp4A:
29.71
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.
4UMJ_B_BFQB1294_1
(GERANYLTRANSTRANSFER
ASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 0.90A 4umjB-4fp4A:
24.6		 4umjB-4fp4A:
29.71
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.
4UMJ_B_BFQB1294_1
(GERANYLTRANSTRANSFER
ASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		7 / 9 SER A  82
LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 GER  A 301 (-4.5A)
UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 0.94A 4umjB-4fp4A:
24.6		 4umjB-4fp4A:
29.71
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.
4UPR_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1
(Homo
sapiens) 		4 / 6 VAL A  67
ARG A  44
PHE A 134
GLU A 142
 None
UNX  A 305 (-4.1A)
None
None
 1.49A 4uprA-3c5hA:
undetectable
4uprB-3c5hA:
undetectable		 4uprA-3c5hA:
18.81
4uprB-3c5hA:
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.
4V2Z_C_Y70C151_1
(CEREBLON ISOFORM 4)		 5j39 TUDOR AND KH
DOMAIN-CONTAINING
PROTEIN
(Homo
sapiens) 		4 / 8 ASN A 319
PHE A 321
TRP A 466
TRP A 322
 UNX  A 504 ( 3.8A)
None
None
None
 1.37A 4v2zC-5j39A:
undetectable		 4v2zC-5j39A:
20.19
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.
4W5T_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 1y82 HYPOTHETICAL PROTEIN
(Pyrococcus
furiosus) 		4 / 6 ASP A 116
THR A 114
THR A 130
TYR A 120
 None
None
None
UNX  A 335 (-4.7A)
 1.38A 4w5tA-1y82A:
2.4		 4w5tA-1y82A:
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.
4WA5_A_ZMRA501_1
(NEURAMINIDASE)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		5 / 12 ARG A 380
GLU A 100
GLU A  71
ARG A 287
ASN A 285
 UNX  A 425 ( 4.0A)
None
None
None
None
 1.32A 4wa5A-3lp8A:
undetectable		 4wa5A-3lp8A:
23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WEV_X_SUZX402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER B10)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		6 / 10 TRP A  12
VAL A  39
TYR A  40
HIS A 104
PHE A 118
CYH A 301
 UNX  A 402 (-4.3A)
None
UNX  A 402 (-4.4A)
UNX  A 402 (-4.1A)
None
NAP  A 400 ( 4.0A)
 0.65A 4wevX-3krbA:
40.2		 4wevX-3krbA:
40.29
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.
4X1K_D_LOCD502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 6dxt -
(-) 		4 / 4 ASN A 211
SER A 260
ALA A 245
VAL A 246
 UNX  A 702 ( 4.2A)
None
None
None
 0.77A 4x1kC-6dxtA:
undetectable		 4x1kC-6dxtA:
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.
4Y8W_C_STRC603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 3u12 USP37 PROTEIN
(Homo
sapiens) 		5 / 12 ASP A  78
SER A  80
LEU A  76
VAL A  40
LEU A  82
 UNX  A1017 ( 3.8A)
UNX  A1017 ( 2.9A)
None
None
None
 1.01A 4y8wC-3u12A:
undetectable		 4y8wC-3u12A:
13.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YVV_A_GBMA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3krb ALDOSE REDUCTASE
(Giardia
intestinalis) 		5 / 9 TYR A  40
TRP A  73
HIS A 104
ASN A 156
TYR A 203
 UNX  A 402 (-4.4A)
None
UNX  A 402 (-4.1A)
NAP  A 400 (-3.4A)
NAP  A 400 (-3.2A)
 0.29A 4yvvA-3krbA:
39.0		 4yvvA-3krbA:
36.15
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.
4Z4C_A_IPHA906_0
(PROTEIN ARGONAUTE-2)		 1y82 HYPOTHETICAL PROTEIN
(Pyrococcus
furiosus) 		4 / 6 ASP A 116
THR A 114
THR A 130
TYR A 120
 None
None
None
UNX  A 335 (-4.7A)
 1.39A 4z4cA-1y82A:
undetectable		 4z4cA-1y82A:
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.
4Z4F_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 1y82 HYPOTHETICAL PROTEIN
(Pyrococcus
furiosus) 		4 / 6 ASP A 116
THR A 114
THR A 130
TYR A 120
 None
None
None
UNX  A 335 (-4.7A)
 1.34A 4z4fA-1y82A:
2.4		 4z4fA-1y82A:
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.
4Z4I_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 1y82 HYPOTHETICAL PROTEIN
(Pyrococcus
furiosus) 		4 / 6 ASP A 116
THR A 114
THR A 130
TYR A 120
 None
None
None
UNX  A 335 (-4.7A)
 1.35A 4z4iA-1y82A:
2.5		 4z4iA-1y82A:
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.
4ZBR_A_ACTA608_0
(SERUM ALBUMIN)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		3 / 3 LYS A 337
ARG A 335
HIS A 370
 UNX  A 502 ( 3.9A)
None
None
 1.17A 4zbrA-3smtA:
undetectable		 4zbrA-3smtA:
22.44
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.
5A06_A_SORA1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 1fgg GLUCURONYLTRANSFERAS
E I
(Homo
sapiens) 		4 / 6 ARG A 161
ASP A 194
HIS A 308
ARG A 310
 UDP  A 337 ( 4.5A)
UDP  A 337 (-3.6A)
UNX  A 338 ( 3.2A)
UDP  A 337 (-3.6A)
 1.16A 5a06A-1fggA:
undetectable		 5a06A-1fggA:
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.
5A06_B_SORB1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 1yem CONSERVED
HYPOTHETICAL PROTEIN
PFU-838710-001
(Pyrococcus
furiosus) 		4 / 7 ARG A  47
ASP A  33
ILE A  98
TYR A 159
 UNX  A 205 ( 3.8A)
None
None
UNX  A 202 ( 4.5A)
 1.40A 5a06B-1yemA:
undetectable		 5a06B-1yemA:
18.91
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 7 HIS A 480
GLY A 125
ASN A 126
HIS A 122
 None
None
None
UNX  A 607 ( 3.5A)
 1.38A 5a5zC-3t8lA:
undetectable		 5a5zC-3t8lA:
19.90
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.
5A6I_A_TCWA1124_1
(TRANSTHYRETIN)		 5jjx SQUAMOUS CELL
CARCINOMA ANTIGEN
RECOGNIZED BY
T-CELLS 3
(Homo
sapiens) 		4 / 6 LEU A 227
LEU A 214
SER A 215
VAL A 177
 None
None
None
UNX  A 412 ( 4.5A)
 1.12A 5a6iA-5jjxA:
undetectable		 5a6iA-5jjxA:
20.26
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.
5AJQ_A_DB8A800_2
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 2nzt HEXOKINASE-2
(Homo
sapiens) 		4 / 4 VAL A 393
ILE A 257
ASN A 235
VAL A  61
 None
None
GLC  A1001 (-3.6A)
UNX  A   4 (-4.1A)
 1.22A 5ajqA-2nztA:
undetectable		 5ajqA-2nztA:
16.43
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.
5B1B_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3hzj RAB
GTPASE-ACTIVATING
PROTEIN 1-LIKE
(Homo
sapiens) 		5 / 6 GLN A 698
PHE A 704
PHE A 708
LEU A 759
PHE A 754
 UNX  A 910 ( 4.6A)
None
UNX  A 901 ( 4.7A)
None
None
 1.47A 5b1bC-3hzjA:
undetectable
5b1bJ-3hzjA:
undetectable		 5b1bC-3hzjA:
23.38
5b1bJ-3hzjA:
11.79
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.
5CG5_A_RISA400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 12 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
None
 1.04A 5cg5A-4fp4A:
20.6		 5cg5A-4fp4A:
25.61
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.
5CG5_A_RISA400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 12 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.12A 5cg5A-4fp4A:
20.6		 5cg5A-4fp4A:
25.61
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.
5CG5_A_RISA400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 12 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.03A 5cg5A-4fp4A:
20.6		 5cg5A-4fp4A:
25.61
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.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 12 ASP A  86
ASP A  90
ARG A  95
GLN A 147
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
None
 1.06A 5cg6A-4fp4A:
20.9		 5cg6A-4fp4A:
25.61
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.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 12 ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
None
 1.12A 5cg6A-4fp4A:
20.9		 5cg6A-4fp4A:
25.61
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.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 12 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
THR A 163
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.02A 5cg6A-4fp4A:
20.9		 5cg6A-4fp4A:
25.61
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.
5DPD_A_SAMA601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)		 3ray PR DOMAIN-CONTAINING
PROTEIN 11
(Homo
sapiens) 		5 / 12 GLU A 161
LEU A 118
SER A 128
ILE A 129
HIS A 159
 None
UNX  A 238 ( 4.2A)
None
None
None
 1.04A 5dpdA-3rayA:
undetectable		 5dpdA-3rayA:
16.48
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.
5E26_A_PAUA602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 2a4k 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE
(Thermus
thermophilus) 		4 / 7 GLY A 145
ARG A 239
GLY A 140
ALA A 143
 UNX  A 277 ( 4.7A)
None
None
None
 0.88A 5e26A-2a4kA:
undetectable
5e26B-2a4kA:
undetectable		 5e26A-2a4kA:
21.39
5e26B-2a4kA:
21.39
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.
5E26_C_PAUC602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 2a4k 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE
(Thermus
thermophilus) 		4 / 7 GLY A 145
ARG A 239
GLY A 140
ALA A 143
 UNX  A 277 ( 4.7A)
None
None
None
 0.85A 5e26C-2a4kA:
undetectable
5e26D-2a4kA:
undetectable		 5e26C-2a4kA:
21.39
5e26D-2a4kA:
21.39
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.
5E26_D_PAUD601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 2a4k 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE
(Thermus
thermophilus) 		4 / 8 ALA A 143
GLY A 145
ARG A 239
GLY A 140
 None
UNX  A 277 ( 4.7A)
None
None
 0.84A 5e26C-2a4kA:
undetectable
5e26D-2a4kA:
undetectable		 5e26C-2a4kA:
21.39
5e26D-2a4kA:
21.39
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.
5EML_A_SAMA701_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 3ow8 WD REPEAT-CONTAINING
PROTEIN 61
(Homo
sapiens) 		4 / 6 TYR A 301
TYR A 282
GLY A 279
ASP A 294
 None
None
UNX  A 307 ( 3.9A)
UNX  A1001 ( 3.5A)
 1.27A 5emlA-3ow8A:
undetectable		 5emlA-3ow8A:
18.36
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.
5ERO_A_210A804_1
(FUSICOCCADIENE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		6 / 9 LEU A  83
ASP A  86
ASP A  90
ARG A  95
LYS A 162
GLN A 199
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.19A 5eroA-4fp4A:
19.9		 5eroA-4fp4A:
23.38
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.
5ERO_B_210B804_1
(FUSICOCCADIENE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 9 ASP A  86
ASP A  90
ARG A  95
LYS A 162
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
None
 1.26A 5eroB-4fp4A:
19.9		 5eroB-4fp4A:
23.38
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.
5HJI_A_ADNA401_1
(TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A)		 5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13
(Homo
sapiens) 		5 / 11 LEU A 498
TYR A 569
PHE A 611
GLY A 609
ILE A 604
 None
UNX  A 701 ( 4.4A)
None
None
None
 1.30A 5hjiA-5wcjA:
12.2		 5hjiA-5wcjA:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HNZ_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		 1rkt PROTEIN YFIR
(Bacillus
subtilis) 		5 / 12 LEU A 114
SER A  55
PHE A  30
THR A 116
ARG A 124
 UNX  A 423 ( 4.8A)
None
None
None
None
 1.36A 5hnzB-1rktA:
undetectable		 5hnzB-1rktA:
19.73
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.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 2nzt HEXOKINASE-2
(Homo
sapiens) 		5 / 12 ILE A 229
ALA A 236
GLY A 448
GLY A 411
GLY A  87
 GLC  A1001 (-4.2A)
None
BG6  A1002 (-3.6A)
None
UNX  A   6 ( 3.4A)
 0.98A 5i73A-2nztA:
undetectable		 5i73A-2nztA:
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.
5IEP_A_VDYA201_1
(CDL2.3B)		 3mpx FYVE, RHOGEF AND PH
DOMAIN-CONTAINING
PROTEIN 5
(Homo
sapiens) 		5 / 12 TYR A 907
LEU A 914
LEU A 949
PHE A 997
LEU A1001
 UNX  A   7 ( 4.9A)
None
None
None
None
 1.11A 5iepA-3mpxA:
undetectable		 5iepA-3mpxA:
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.
5IFU_B_GBMB801_1
(PROLINE--TRNA LIGASE)		 1xma PREDICTED
TRANSCRIPTIONAL
REGULATOR
(Ruminiclostridiu
m
thermocellum) 		5 / 9 ILE A  61
LEU A  19
ARG A  74
ILE A  29
GLY A  26
 None
None
None
UNX  A 403 (-4.5A)
None
 1.43A 5ifuB-1xmaA:
undetectable		 5ifuB-1xmaA:
16.92
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.
5IKR_B_ID8B602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens) 		3 / 3 SER A 345
LEU A 394
MET A 351
 None
None
UNX  A 509 ( 4.4A)
 0.88A 5ikrB-3smtA:
undetectable		 5ikrB-3smtA:
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.
5IL1_A_SAMA601_0
(METTL3)		 5tey N6-ADENOSINE-METHYLT
RANSFERASE SUBUNIT
METTL14
(Homo
sapiens) 		6 / 12 ASP B 173
ILE B 174
PRO B 194
LYS B 326
PHE B 347
GLY B 361
 None
UNX  B 407 ( 4.2A)
None
None
None
None
 1.16A 5il1A-5teyB:
19.9		 5il1A-5teyB:
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.
5K7U_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 5tey N6-ADENOSINE-METHYLT
RANSFERASE SUBUNIT
METTL14
(Homo
sapiens) 		6 / 12 ASP B 173
ILE B 174
PRO B 194
LYS B 326
PHE B 347
GLY B 361
 None
UNX  B 407 ( 4.2A)
None
None
None
None
 1.16A 5k7uA-5teyB:
19.8		 5k7uA-5teyB:
21.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		 5uvm HISTIDINE TRIAD
(HIT) PROTEIN
(Ruminiclostridiu
m
thermocellum) 		5 / 8 ASN A  87
ALA A  92
GLN A  94
HIS A 100
HIS A 102
 UNX  A 203 ( 4.2A)
None
None
UNX  A 202 ( 3.6A)
UNX  A 203 ( 4.5A)
 1.18A 5km8A-5uvmA:
16.4
5km8B-5uvmA:
20.0		 5km8A-5uvmA:
33.33
5km8B-5uvmA:
33.33
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.
5KM9_B_ADNB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		 4r3i YTH
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens) 		5 / 12 ILE A 400
ILE A 480
LEU A 359
LEU A 461
HIS A 460
 None
None
UNX  A 607 ( 4.9A)
None
None
 1.24A 5km9B-4r3iA:
undetectable		 5km9B-4r3iA:
21.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KM9_B_ADNB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		 5uvm HISTIDINE TRIAD
(HIT) PROTEIN
(Ruminiclostridiu
m
thermocellum) 		7 / 12 PHE A   6
ILE A   9
ASP A  30
LEU A  40
VAL A  96
HIS A 100
HIS A 102
 None
UNX  A 209 ( 4.4A)
UNX  A 213 ( 3.0A)
None
None
UNX  A 202 ( 3.6A)
UNX  A 203 ( 4.5A)
 0.39A 5km9B-5uvmA:
20.1		 5km9B-5uvmA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KM9_B_ADNB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		 5uvm HISTIDINE TRIAD
(HIT) PROTEIN
(Ruminiclostridiu
m
thermocellum) 		7 / 12 PHE A   6
ILE A   9
LEU A  14
LEU A  40
VAL A  96
HIS A 100
HIS A 102
 None
UNX  A 209 ( 4.4A)
None
None
None
UNX  A 202 ( 3.6A)
UNX  A 203 ( 4.5A)
 0.68A 5km9B-5uvmA:
20.1		 5km9B-5uvmA:
33.33
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.
5KPC_A_SAMA401_1
(PAVINE
N-METHYLTRANSFERASE)		 3mbw EPHRIN TYPE-A
RECEPTOR 2
(Homo
sapiens) 		4 / 5 PHE A 156
SER A 154
ASN A 164
ASP A 148
 None
None
None
UNX  A 327 ( 2.7A)
 1.46A 5kpcA-3mbwA:
undetectable		 5kpcA-3mbwA:
22.65
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.
5L6E_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 5tey N6-ADENOSINE-METHYLT
RANSFERASE SUBUNIT
METTL14
(Homo
sapiens) 		6 / 12 ILE B 174
PRO B 194
LYS B 326
PHE B 347
GLY B 348
GLY B 361
 UNX  B 407 ( 4.2A)
None
None
None
None
None
 0.79A 5l6eA-5teyB:
19.9		 5l6eA-5teyB:
21.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5L6E_B_ACTB401_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT
N6-ADENOSINE-METHYLT
RANSFERASE SUBUNIT
METTL14)		 5tey N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT
N6-ADENOSINE-METHYLT
RANSFERASE SUBUNIT
METTL14
(Homo
sapiens;
Homo
sapiens) 		5 / 6 GLU A 438
ARG B 245
LEU B 248
ARG B 249
ARG B 255
 UNX  B 405 ( 4.5A)
None
None
UNX  B 405 ( 4.8A)
None
 0.22A 5l6eA-5teyA:
36.0
5l6eB-5teyA:
20.7		 5l6eA-5teyA:
99.56
5l6eB-5teyA:
18.23
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.
5LG3_G_Z80G401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 1zd0 HYPOTHETICAL PROTEIN
PF0523
(Pyrococcus
furiosus) 		5 / 10 ILE A 103
ILE A 123
VAL A  43
GLU A  98
ILE A  30
 None
None
None
UNX  A 406 ( 4.4A)
None
 1.29A 5lg3G-1zd0A:
undetectable		 5lg3G-1zd0A:
19.68
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.
5LG3_H_Z80H401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 1zd0 HYPOTHETICAL PROTEIN
PF0523
(Pyrococcus
furiosus) 		5 / 10 ILE A 103
ILE A 123
VAL A  43
GLU A  98
ILE A  30
 None
None
None
UNX  A 406 ( 4.4A)
None
 1.26A 5lg3H-1zd0A:
undetectable		 5lg3H-1zd0A:
19.68
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.
5LJE_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 PHE A 311
LEU A 331
PRO A 212
LEU A 252
LEU A 225
 None
None
UNX  A 605 ( 4.3A)
None
None
 1.03A 5ljeA-5e26A:
undetectable		 5ljeA-5e26A:
15.62
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.
5M24_A_9CRA501_1
(RETINOIC ACID
RECEPTOR GAMMA)		 2qq8 TBC1 DOMAIN FAMILY
MEMBER 14
(Homo
sapiens) 		5 / 12 ALA A 514
LEU A 506
ILE A 503
LEU A 575
ILE A 400
 None
UNX  A 201 ( 4.0A)
None
None
None
 0.99A 5m24A-2qq8A:
undetectable		 5m24A-2qq8A:
22.86
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		 4ege DIPEPTIDASE PEPE
(Mycobacterium
ulcerans) 		4 / 7 ASP A 242
GLY A 305
GLY A 307
HIS A 313
 ZN  A 412 ( 2.3A)
None
None
UNX  A 421 ( 4.9A)
 1.02A 5n9xA-4egeA:
undetectable		 5n9xA-4egeA:
22.72
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.
5NCD_A_ACTA301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 6 ASP A 120
HIS A 122
HIS A  94
HIS A 239
 None
UNX  A 607 ( 3.5A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.6A)
 0.92A 5ncdA-3t8lA:
2.4
5ncdD-3t8lA:
undetectable		 5ncdA-3t8lA:
16.50
5ncdD-3t8lA:
16.50
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.
5NCD_A_ACTA301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 6 ASP A 289
HIS A 239
HIS A  92
HIS A 122
 UNX  A 608 ( 2.4A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 3.2A)
UNX  A 607 ( 3.5A)
 0.88A 5ncdA-3t8lA:
2.4
5ncdD-3t8lA:
undetectable		 5ncdA-3t8lA:
16.50
5ncdD-3t8lA:
16.50
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.
5NCD_C_ACTC301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 6 HIS A 122
ASP A 289
HIS A 239
HIS A  92
 UNX  A 607 ( 3.5A)
UNX  A 608 ( 2.4A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 3.2A)
 0.92A 5ncdB-3t8lA:
4.2
5ncdC-3t8lA:
2.5		 5ncdB-3t8lA:
16.50
5ncdC-3t8lA:
16.50
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.
5ND7_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		 4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C
(Homo
sapiens) 		5 / 12 VAL A 137
GLU A 118
LEU A 133
ALA A 130
LEU A 220
 None
UNX  A1016 ( 2.6A)
None
None
None
 1.14A 5nd7B-4mtlA:
2.4		 5nd7B-4mtlA:
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.
5NEL_A_ACTA302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 6 ASP A 289
HIS A 239
HIS A  92
HIS A 122
 UNX  A 608 ( 2.4A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 3.2A)
UNX  A 607 ( 3.5A)
 0.91A 5nelA-3t8lA:
4.3
5nelD-3t8lA:
3.9		 5nelA-3t8lA:
16.50
5nelD-3t8lA:
16.50
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.
5NM5_B_LOCB502_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 6dxt -
(-) 		4 / 4 ASN A 211
SER A 260
ALA A 245
VAL A 246
 UNX  A 702 ( 4.2A)
None
None
None
 0.81A 5nm5A-6dxtA:
undetectable		 5nm5A-6dxtA:
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.
5NWU_A_ACAA18_1
(WTFP-TAG,GP41)		 2nzt HEXOKINASE-2
(Homo
sapiens) 		5 / 12 ALA A  59
GLY A  50
LYS A  62
GLU A  48
GLU A 241
 UNX  A   4 (-3.3A)
UNX  A   4 ( 4.6A)
None
None
None
 1.20A 5nwuA-2nztA:
undetectable		 5nwuA-2nztA:
3.96
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.
5NWV_A_ACAA18_1
(SCRFP-TAG,GP41)		 5df6 TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 11
(Homo
sapiens) 		5 / 12 GLY A 133
SER A 134
LYS A 131
LEU A 136
LEU A 216
 None
None
UNX  A 305 ( 4.3A)
None
None
 1.12A 5nwvA-5df6A:
undetectable		 5nwvA-5df6A:
10.28
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.
5NY7_A_NCAA303_0
(AMIDASE)		 5tey N6-ADENOSINE-METHYLT
RANSFERASE SUBUNIT
METTL14
(Homo
sapiens) 		4 / 6 ARG B 354
GLY B 356
PRO B 355
GLU B 335
 UNX  B 404 ( 4.0A)
None
None
None
 0.78A 5ny7A-5teyB:
undetectable		 5ny7A-5teyB:
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.
5NZY_A_CE3A1103_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE
(Ehrlichia
chaffeensis) 		4 / 8 THR A 225
TYR A 342
GLN A 149
GLY A 366
 None
None
UNX  A 426 ( 4.3A)
None
 1.01A 5nzyA-3lp8A:
undetectable		 5nzyA-3lp8A:
22.41
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.
5O4Y_D_CCSD14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2
PROGRAMMED CELL
DEATH 1 LIGAND 1)		 2a4k 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE
(Thermus
thermophilus) 		5 / 12 SER A  16
GLY A  13
GLY A  89
VAL A  90
THR A 135
 None
None
None
UNX  A 276 (-4.8A)
None
 1.03A 5o4yD-2a4kA:
undetectable
5o4yE-2a4kA:
undetectable		 5o4yD-2a4kA:
5.43
5o4yE-2a4kA:
16.92
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.
5OEX_B_CUB601_0
(THIOCYANATE
DEHYDROGENASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 HIS A 239
ASP A 289
HIS A  94
 UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
UNX  A 608 ( 3.4A)
 0.78A 5oexB-3t8lA:
undetectable		 5oexB-3t8lA:
21.24
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.
5OEX_C_CUC601_0
(THIOCYANATE
DEHYDROGENASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 HIS A 239
ASP A 289
HIS A  94
 UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
UNX  A 608 ( 3.4A)
 0.74A 5oexC-3t8lA:
undetectable		 5oexC-3t8lA:
21.24
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.
5OEX_D_CUD601_0
(THIOCYANATE
DEHYDROGENASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 HIS A 239
ASP A 289
HIS A  94
 UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
UNX  A 608 ( 3.4A)
 0.74A 5oexD-3t8lA:
undetectable		 5oexD-3t8lA:
21.24
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.
5QGK_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 5wpb HISTONE DEACETYLASE
6
(Homo
sapiens) 		3 / 3 VAL A1144
TYR A1149
GLN A1150
 None
None
UNX  A1306 ( 4.7A)
 0.71A 5qgkA-5wpbA:
undetectable		 5qgkA-5wpbA:
19.34
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.
5QGR_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 5wpb HISTONE DEACETYLASE
6
(Homo
sapiens) 		3 / 3 VAL A1144
TYR A1149
GLN A1150
 None
None
UNX  A1306 ( 4.7A)
 0.69A 5qgrA-5wpbA:
undetectable		 5qgrA-5wpbA:
19.34
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.
5QGT_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 5wpb HISTONE DEACETYLASE
6
(Homo
sapiens) 		3 / 3 VAL A1144
TYR A1149
GLN A1150
 None
None
UNX  A1306 ( 4.7A)
 0.70A 5qgtA-5wpbA:
undetectable		 5qgtA-5wpbA:
19.34
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.
5TDZ_A_ADNA905_1
(ATP-CITRATE SYNTHASE)		 5e1b N-TERMINAL
XAA-PRO-LYS
N-METHYLTRANSFERASE
1
(Homo
sapiens) 		4 / 6 ASP A 127
ARG A 158
LEU A 157
ASP A 130
 None
UNX  A 321 ( 3.9A)
None
None
 1.07A 5tdzA-5e1bA:
undetectable		 5tdzA-5e1bA:
19.67
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.
5TT3_F_EZLF302_1
(ALPHA-CARBONIC
ANHYDRASE)		 3gbj KIF13B PROTEIN
(Homo
sapiens) 		4 / 8 HIS A 223
VAL A 225
VAL A 252
LEU A 314
 UNX  A   1 ( 4.6A)
None
None
None
 0.84A 5tt3F-3gbjA:
undetectable		 5tt3F-3gbjA:
21.98
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.
5TUD_A_ERMA2001_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)		 5wde KINESIN-LIKE PROTEIN
KIFC3
(Homo
sapiens) 		5 / 12 SER A 732
PHE A 525
LEU A 701
LEU A 675
VAL A 673
 UNX  A 932 ( 2.7A)
None
UNX  A 931 ( 4.6A)
UNX  A 931 ( 4.2A)
None
 1.08A 5tudA-5wdeA:
undetectable		 5tudA-5wdeA:
22.37
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.
5TUD_D_ERMD1201_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)		 2if6 HYPOTHETICAL PROTEIN
YIIX
(Escherichia
coli) 		4 / 6 VAL A  54
THR A  23
LEU A 111
GLU A 130
 None
None
None
UNX  A   1 (-2.2A)
 0.96A 5tudD-2if6A:
undetectable		 5tudD-2if6A:
17.95
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.
5UBB_A_SAMA301_0
(ALPHA N-TERMINAL
PROTEIN
METHYLTRANSFERASE 1B)		 6dub -
(-) 		12 / 12 TYR A  76
MET A  86
GLY A 124
VAL A 130
MET A 147
SER A 173
LEU A 174
GLN A 190
TRP A 191
VAL A 192
HIS A 195
LEU A 196
 SAH  A 301 (-3.7A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.9A)
None
SAH  A 301 (-3.5A)
UNX  A 311 (-4.0A)
SAH  A 301 (-4.0A)
SAH  A 301 (-4.2A)
GOL  A 303 ( 4.9A)
UNX  A 316 ( 4.3A)
SAH  A 301 (-3.9A)
None
 0.11A 5ubbA-6dubA:
38.7		 5ubbA-6dubA:
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.
5UC3_A_486A801_2
(GLUCOCORTICOID
RECEPTOR)		 2pxx UNCHARACTERIZED
PROTEIN MGC2408
(Homo
sapiens) 		4 / 5 LEU A  72
LEU A  76
MET A  97
TYR A  39
 None
None
UNX  A 300 (-3.5A)
None
 1.35A 5uc3A-2pxxA:
undetectable		 5uc3A-2pxxA:
18.22
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.
5UC3_B_486B801_1
(GLUCOCORTICOID
RECEPTOR)		 3gf9 INTERSECTIN 2
(Homo
sapiens) 		5 / 12 LEU A1319
GLY A1283
PHE A1226
MET A1211
LEU A1301
 UNX  A   3 (-4.5A)
UNX  A   3 (-3.4A)
None
None
None
 1.29A 5uc3B-3gf9A:
undetectable		 5uc3B-3gf9A:
17.59
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.
5UXD_B_ZITB501_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH)		 5j39 TUDOR AND KH
DOMAIN-CONTAINING
PROTEIN
(Homo
sapiens) 		5 / 12 LEU A 451
VAL A 312
GLU A 485
ALA A 492
GLY A 490
 UNX  A 503 ( 4.3A)
UNX  A 503 ( 4.0A)
None
None
None
 1.07A 5uxdB-5j39A:
undetectable		 5uxdB-5j39A:
22.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V21_A_SAMA1804_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD2)		 4fmu HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD2
(Homo
sapiens) 		9 / 12 LYS A1560
GLY A1561
TRP A1562
TYR A1604
TYR A1605
ASN A1628
GLN A1676
CYH A1678
LEU A1689
 None
0UM  A1804 (-3.5A)
None
UNX  A1805 (-4.8A)
0UM  A1804 (-4.2A)
0UM  A1804 (-3.3A)
0UM  A1804 (-3.3A)
ZN  A1803 ( 2.2A)
0UM  A1804 (-4.8A)
 1.07A 5v21A-4fmuA:
34.3		 5v21A-4fmuA:
96.53
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.
5VLM_D_CVID301_1
(REGULATORY PROTEIN
TETR)		 4mvt E3 SUMO-PROTEIN
LIGASE PIAS3
(Homo
sapiens) 		4 / 8 GLY A 139
GLU A 136
ILE A 188
GLN A 170
 UNX  A 506 ( 3.9A)
None
None
None
 0.87A 5vlmD-4mvtA:
undetectable		 5vlmD-4mvtA:
19.51
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		 2a4k 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE
(Thermus
thermophilus) 		3 / 3 GLY A  89
ASN A 111
ARG A  38
 None
UNX  A 276 (-3.8A)
None
 0.66A 5w7bD-2a4kA:
5.7		 5w7bD-2a4kA:
10.69
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.
5X23_A_LSNA502_2
(CYTOCHROME P450 2C9)		 4tvr E3 UBIQUITIN-PROTEIN
LIGASE UHRF2
(Homo
sapiens) 		3 / 3 LEU A 242
VAL A 302
ASP A 303
 None
UNX  A 409 ( 4.5A)
UNX  A 409 ( 3.6A)
 0.58A 5x23A-4tvrA:
undetectable		 5x23A-4tvrA:
22.11
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.
5X80_B_SALB203_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 4ijd HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9
(Homo
sapiens) 		4 / 6 PRO A 243
GLY A 245
LEU A 267
VAL A 225
 None
UNX  A 507 ( 4.0A)
None
None
 0.83A 5x80A-4ijdA:
undetectable
5x80B-4ijdA:
undetectable		 5x80A-4ijdA:
19.81
5x80B-4ijdA:
19.81
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.
5Y1Y_A_HNQA201_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 6cw0 CGD2_2690 PROTEIN
(Cryptosporidium
parvum) 		6 / 8 VAL A  30
LEU A  35
LEU A  37
CYH A  79
TYR A  82
ASN A  83
 R78  A 201 (-4.5A)
R78  A 201 (-4.9A)
None
R78  A 201 ( 3.8A)
UNX  A 203 ( 4.1A)
R78  A 201 (-3.3A)
 0.35A 5y1yA-6cw0A:
16.9		 5y1yA-6cw0A:
28.00
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.
5Y7P_G_CHDG401_0
(BILE SALT HYDROLASE)		 3bfn KINESIN-LIKE PROTEIN
KIF22
(Homo
sapiens) 		5 / 10 LEU A 272
ILE A 215
LEU A 155
LEU A 157
LEU A 115
 None
None
UNX  A 708 ( 4.9A)
None
None
 1.22A 5y7pG-3bfnA:
undetectable		 5y7pG-3bfnA:
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.
5Y9Y_A_ACTA409_0
(UNCHARACTERIZED
PROTEIN KDOO)		 4r3i YTH
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens) 		3 / 3 LYS A 469
PRO A 470
LYS A 472
 UNX  A 604 ( 3.1A)
None
U  B   5 ( 2.8A)
 0.92A 5y9yA-4r3iA:
undetectable		 5y9yA-4r3iA:
20.44
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.
5YW0_A_ACTA412_0
(UNCHARACTERIZED
PROTEIN KDOO)		 4lg9 F-BOX-LIKE/WD
REPEAT-CONTAINING
PROTEIN TBL1XR1
(Homo
sapiens) 		3 / 3 LYS A 335
ASN A 320
SER A 318
 UNX  A 605 ( 4.6A)
UNX  A 613 ( 4.5A)
UNX  A 605 ( 3.3A)
 1.22A 5yw0A-4lg9A:
undetectable		 5yw0A-4lg9A:
19.36
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.
5Z84_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3hzj RAB
GTPASE-ACTIVATING
PROTEIN 1-LIKE
(Homo
sapiens) 		3 / 3 TYR A 564
ARG A 565
THR A 569
 None
UNX  A 906 ( 4.3A)
None
 1.03A 5z84J-3hzjA:
undetectable		 5z84J-3hzjA:
11.79
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.
6AG0_C_ACRC605_0
(ALPHA-AMYLASE)		 5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL
(Homo
sapiens) 		4 / 8 TYR A 556
GLY A 345
ILE A 346
ASP A 217
 None
None
None
UNX  A 604 ( 3.5A)
 0.97A 6ag0C-5e26A:
undetectable		 6ag0C-5e26A:
13.42
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3rpx COMPLEMENT COMPONENT
1 Q
SUBCOMPONENT-BINDING
PROTEIN
(Homo
sapiens) 		5 / 12 VAL A 183
PHE A 204
TRP A 109
VAL A 169
PHE A 168
 None
UNX  A  60 ( 4.7A)
None
None
None
 1.03A 6ap6A-3rpxA:
undetectable		 6ap6A-3rpxA:
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.
6AP6_B_TLFB300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3rpx COMPLEMENT COMPONENT
1 Q
SUBCOMPONENT-BINDING
PROTEIN
(Homo
sapiens) 		5 / 12 VAL A 183
PHE A 204
TRP A 109
VAL A 169
PHE A 168
 None
UNX  A  60 ( 4.7A)
None
None
None
 1.05A 6ap6B-3rpxA:
undetectable		 6ap6B-3rpxA:
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.
6B54_A_OAQA302_0
(SULFOTRANSFERASE)		 2pfr ARYLAMINE
N-ACETYLTRANSFERASE
2
(Homo
sapiens) 		5 / 12 ILE A 189
LEU A 288
LEU A 161
PHE A  93
LEU A 135
 None
UNX  A1009 ( 4.2A)
None
COA  A 401 ( 3.8A)
None
 1.02A 6b54A-2pfrA:
undetectable		 6b54A-2pfrA:
24.52
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.
6B5V_B_ECLB1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		 3eap RHO
GTPASE-ACTIVATING
PROTEIN 11A
(Homo
sapiens) 		4 / 7 ALA A 118
ILE A 232
LEU A 195
ILE A 132
 None
None
None
UNX  A 254 (-4.5A)
 0.86A 6b5vA-3eapA:
undetectable
6b5vB-3eapA:
undetectable		 6b5vA-3eapA:
15.72
6b5vB-3eapA:
15.72
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.
6BBS_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		 2w2j CARBONIC
ANHYDRASE-RELATED
PROTEIN
(Homo
sapiens) 		5 / 12 HIS A  87
ILE A 153
HIS A 118
THR A 223
TRP A 233
 None
UNX  A 603 ( 4.9A)
CL  A 401 (-4.2A)
CL  A 401 ( 4.8A)
None
 0.81A 6bbsA-2w2jA:
30.1		 6bbsA-2w2jA:
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.
6BQG_A_ERMA1201_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		 4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE
(Homo
sapiens) 		5 / 12 VAL A 125
VAL A  89
GLY A  76
GLU A 132
ASN A  69
 None
None
UNX  A 418 ( 3.5A)
UNX  A 420 ( 3.3A)
UNX  A 421 ( 3.9A)
 1.14A 6bqgA-4pwyA:
undetectable		 6bqgA-4pwyA:
15.18
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		 4iv5 ASPARTATE
CARBAMOYLTRANSFERASE
, PUTATIVE
(Trypanosoma
cruzi) 		4 / 7 SER A  62
HIS A 141
GLY A 135
ARG A 318
 PO4  A 401 (-2.6A)
UNX  A 402 ( 4.2A)
None
None
 1.06A 6btxA-4iv5A:
undetectable		 6btxA-4iv5A:
22.27
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.
6C2M_C_SUEC1203_1
(NS3 PROTEASE)		 6d0s TBC1 DOMAIN FAMILY
MEMBER 22B
(Homo
sapiens) 		5 / 9 PHE A 319
VAL A 320
LEU A 358
ARG A 216
ASP A 428
 None
None
None
UNX  A 611 ( 4.2A)
None
 1.46A 6c2mC-6d0sA:
undetectable		 6c2mC-6d0sA:
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.
6CE2_B_SVRB202_1
()		 2rex PLEXIN-B1
(Homo
sapiens) 		4 / 8 LEU A1785
LEU A1788
GLY A1758
LYS A1781
 None
None
None
UNX  A  11 (-3.5A)
 0.94A 6ce2A-2rexA:
undetectable		 6ce2A-2rexA:
25.74
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.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 2pfr ARYLAMINE
N-ACETYLTRANSFERASE
2
(Homo
sapiens) 		5 / 12 LEU A 135
SER A 127
PHE A 244
VAL A 231
LEU A 109
 None
UNX  A1009 ( 4.0A)
None
None
None
 1.12A 6djzB-2pfrA:
undetectable		 6djzB-2pfrA:
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.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 2rex PLEXIN-B1
RHO-RELATED
GTP-BINDING PROTEIN
RHO6
(Homo
sapiens;
Homo
sapiens) 		5 / 12 LEU A1751
ILE A1777
THR A1823
VAL B  77
LEU A1772
 None
UNX  A  11 ( 4.8A)
None
None
None
 1.33A 6djzB-2rexA:
undetectable		 6djzB-2rexA:
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		 2rex RHO-RELATED
GTP-BINDING PROTEIN
RHO6
(Homo
sapiens) 		4 / 5 ILE B 147
SER B 148
ALA B 156
LEU B 104
 None
None
UNX  B 559 ( 4.1A)
None
 1.02A 6dwnA-2rexB:
undetectable		 6dwnA-2rexB:
14.21
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.
6E5Z_A_CCSA106_0
(PROTEIN/NUCLEIC ACID
DEGLYCASE DJ-1)		 3u1u RNA
POLYMERASE-ASSOCIATE
D PROTEIN RTF1
HOMOLOG
(Homo
sapiens) 		5 / 10 GLY A 407
ILE A 405
ALA A 379
THR A 381
GLY A 384
 None
None
None
UNX  A 512 ( 4.0A)
UNX  A 506 ( 4.5A)
 1.11A 6e5zA-3u1uA:
undetectable		 6e5zA-3u1uA:
21.47
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.
6ECX_A_SAMA1301_1
(STIE PROTEIN)		 3b6v KINESIN-LIKE PROTEIN
KIF3C
(Homo
sapiens) 		4 / 5 THR A 101
THR A  34
GLN A  31
ASP A  36
 ADP  A1001 (-4.9A)
None
UNX  A1003 ( 4.7A)
None
 1.42A 6ecxA-3b6vA:
undetectable		 6ecxA-3b6vA:
24.27
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.
6FBP_B_ADNB404_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 2d1g ACID PHOSPHATASE
(Francisella
tularensis) 		5 / 12 ILE A 285
HIS A 106
PRO A 174
ASP A 387
ASP A 208
 None
VO4  A 801 (-3.8A)
VO4  A 801 (-4.1A)
UNX  A 601 ( 2.6A)
VO4  A 801 (-2.6A)
 1.44A 6fbpA-2d1gA:
undetectable
6fbpB-2d1gA:
undetectable		 6fbpA-2d1gA:
10.13
6fbpB-2d1gA:
10.13
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.
6FBV_D_FI8D1904_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 8 ASP A 289
GLU A  96
VAL A 133
ARG A 448
 UNX  A 608 ( 2.4A)
None
None
None
 1.16A 6fbvD-3t8lA:
undetectable		 6fbvD-3t8lA:
19.30
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.
6FGD_A_ACTA806_0
(GEPHYRIN)		 3mdb KINESIN-LIKE PROTEIN
KIF13B
(Homo
sapiens) 		4 / 4 MET A 486
GLY A 485
HIS A 538
GLY A 487
 None
UNX  A   1 ( 3.8A)
None
None
 1.45A 6fgdA-3mdbA:
undetectable		 6fgdA-3mdbA:
16.16
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.
6FGD_A_ACTA819_0
(GEPHYRIN)		 4hae CHROMODOMAIN Y-LIKE
PROTEIN 2
(Homo
sapiens) 		3 / 3 ARG A  28
GLY A  33
GLU A  36
 SO4  A 101 (-3.0A)
UNX  A 107 ( 3.5A)
None
 0.61A 6fgdA-4haeA:
undetectable		 6fgdA-4haeA:
10.55
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.
6G1P_B_ACTB403_0
(ADP-RIBOSYLHYDROLASE
LIKE 2)		 3inn PANTOTHENATE
SYNTHETASE
(Brucella
melitensis) 		3 / 3 PHE A  62
ARG A 121
GLN A  61
 UNX  A 303 ( 4.0A)
UNX  A 303 ( 3.3A)
ATP  A 300 (-3.1A)
 1.17A 6g1pB-3innA:
undetectable		 6g1pB-3innA:
22.97
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.
6G31_A_ZOLA401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 7 ASP A  86
ASP A  90
ARG A  95
GLN A 147
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 1.00A 6g31A-4fp4A:
19.1		 6g31A-4fp4A:
13.62
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.
6G31_B_ZOLB401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 6 ASP A  86
ASP A  90
ARG A  95
GLN A 147
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 0.93A 6g31B-4fp4A:
18.7		 6g31B-4fp4A:
13.62
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.
6G31_C_ZOLC401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		4 / 5 ASP A  86
ARG A  95
GLN A 147
LYS A 162
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
GER  A 301 ( 4.8A)
 1.33A 6g31C-4fp4A:
19.1		 6g31C-4fp4A:
13.62
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.
6G31_C_ZOLC401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		4 / 5 ASP A  86
ASP A  90
ARG A  95
GLN A 147
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
 0.90A 6g31C-4fp4A:
19.1		 6g31C-4fp4A:
13.62
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.
6G31_D_ZOLD401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 7 ASP A  86
ASP A  90
ARG A  95
GLN A 147
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 0.96A 6g31D-4fp4A:
15.0		 6g31D-4fp4A:
13.62
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.
6G31_F_ZOLF401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		4 / 5 ASP A  86
ASP A  90
GLN A 147
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
GER  A 301 ( 4.7A)
None
 0.94A 6g31F-4fp4A:
18.5		 6g31F-4fp4A:
13.62
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.
6G31_F_ZOLF401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		4 / 5 ASP A  90
ARG A  95
GLN A 147
GLN A 199
 UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 1.07A 6g31F-4fp4A:
18.5		 6g31F-4fp4A:
13.62
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		4 / 7 ASP A  86
ASP A  90
ARG A  95
GLN A 147
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
 0.64A 6g31G-4fp4A:
14.9		 6g31G-4fp4A:
13.62
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		4 / 7 ASP A  86
ASP A  90
ARG A  95
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
None
 0.83A 6g31G-4fp4A:
14.9		 6g31G-4fp4A:
13.62
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		4 / 7 ASP A  86
ASP A  90
ARG A  95
LYS A 162
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.8A)
 1.13A 6g31G-4fp4A:
14.9		 6g31G-4fp4A:
13.62
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.
6G31_H_ZOLH401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		4 / 5 ASP A  86
ASP A  90
GLN A 147
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
GER  A 301 ( 4.7A)
None
 0.89A 6g31H-4fp4A:
18.4		 6g31H-4fp4A:
13.62
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.
6G31_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 6 ASP A  86
ASP A  90
ARG A  95
GLN A 147
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 0.96A 6g31J-4fp4A:
18.5		 6g31J-4fp4A:
13.62
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.
6G31_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 6 LEU A  83
ASP A  86
ASP A  90
ARG A  95
GLN A 199
 UNL  A 303 ( 4.7A)
UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
None
 0.95A 6g31J-4fp4A:
18.5		 6g31J-4fp4A:
13.62
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.
6G31_K_ZOLK401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		4 / 4 ASP A  86
ASP A  90
ARG A  95
GLN A 147
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
 0.71A 6g31K-4fp4A:
18.1		 6g31K-4fp4A:
13.62
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.
6G31_L_ZOLL401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		5 / 6 ASP A  86
ASP A  90
ARG A  95
GLN A 147
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 0.94A 6g31L-4fp4A:
19.3		 6g31L-4fp4A:
13.62
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.
6GBF_A_ACTA507_0
(MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
CNX1)		 4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG
(Homo
sapiens) 		3 / 3 LYS A 167
SER A  85
SER A  83
 UNX  A 405 ( 3.6A)
None
None
 1.04A 6gbfA-4rfqA:
2.0		 6gbfA-4rfqA:
20.31
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.
6GNE_A_ACRA602_1
(-)		 5elz TYPE II PANTOTHENATE
KINASE
(Staphylococcus
aureus) 		5 / 12 GLY A 198
GLY A 201
VAL A 237
GLN A 145
VAL A  97
 UNX  A 304 ( 4.2A)
None
None
None
None
 1.15A 6gneA-5elzA:
undetectable		 6gneA-5elzA:
22.09
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.
6GNE_B_ACRB602_1
(-)		 5elz TYPE II PANTOTHENATE
KINASE
(Staphylococcus
aureus) 		5 / 12 GLY A 198
GLY A 201
VAL A 237
GLN A 145
VAL A  97
 UNX  A 304 ( 4.2A)
None
None
None
None
 1.16A 6gneB-5elzA:
undetectable		 6gneB-5elzA:
22.09
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.
6GNE_B_ACRB602_1
(-)		 5jjx SQUAMOUS CELL
CARCINOMA ANTIGEN
RECOGNIZED BY
T-CELLS 3
(Homo
sapiens) 		5 / 12 GLU A 204
GLY A 201
GLY A 202
VAL A 206
GLY A 196
 None
None
None
None
UNX  A 406 ( 3.8A)
 1.05A 6gneB-5jjxA:
undetectable		 6gneB-5jjxA:
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		 1obp ODORANT-BINDING
PROTEIN
(Bos
taurus) 		4 / 8 ASN A 103
PHE A  89
PHE A  40
VAL A  69
 UNX  A 198 ( 2.8A)
UNX  A 198 (-4.5A)
UNX  A 163 (-4.4A)
None
 1.23A 6huoC-1obpA:
1.0
6huoD-1obpA:
undetectable		 6huoC-1obpA:
23.49
6huoD-1obpA:
19.35
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.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		 5wde KINESIN-LIKE PROTEIN
KIFC3
(Homo
sapiens) 		5 / 12 VAL A 452
VAL A 745
ASP A 472
PHE A 471
ASN A 467
 None
None
UNX  A 909 ( 3.7A)
None
None
 1.45A 6iblA-5wdeA:
undetectable		 6iblA-5wdeA:
20.42
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.
6IBL_B_H98B501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		 5wde KINESIN-LIKE PROTEIN
KIFC3
(Homo
sapiens) 		5 / 12 VAL A 452
VAL A 745
ASP A 472
PHE A 471
ASN A 467
 None
None
UNX  A 909 ( 3.7A)
None
None
 1.36A 6iblB-5wdeA:
undetectable		 6iblB-5wdeA:
20.42
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.
6J20_A_GBQA1201_1
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		 1zd0 HYPOTHETICAL PROTEIN
PF0523
(Pyrococcus
furiosus) 		4 / 7 ILE A 123
GLN A  29
GLU A  98
VAL A  23
 None
None
UNX  A 406 ( 4.4A)
None
 0.78A 6j20A-1zd0A:
undetectable		 6j20A-1zd0A:
15.23
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.
6MDQ_A_TESA605_0
(SERUM ALBUMIN)		 4o2w E3 UBIQUITIN-PROTEIN
LIGASE HERC1
(Homo
sapiens) 		4 / 8 GLY A4107
LEU A4059
GLY A4060
GLU A4053
 None
UNX  A4409 ( 3.9A)
UNX  A4409 ( 4.5A)
None
 0.51A 6mdqA-4o2wA:
undetectable		 6mdqA-4o2wA:
13.79
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.
6MN4_A_AM2A301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 4fp4 POLYPRENYL
SYNTHETASE
(Pyrobaculum
calidifontis) 		4 / 8 ASP A  90
ARG A 102
HIS A  92
ASP A 107
 UNX  A 302 ( 3.2A)
None
UNX  A 302 ( 3.3A)
None
 1.13A 6mn4A-4fp4A:
undetectable		 6mn4A-4fp4A:
24.41
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.
6MN5_E_LLLE301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 1xx7 OXETANOCIN-LIKE
PROTEIN
(Pyrococcus
furiosus) 		4 / 7 ASP A 124
ARG A  16
GLU A  71
ASP A  76
 NI  A 201 ( 2.6A)
UNX  A2019 (-3.1A)
None
None
 1.20A 6mn5E-1xx7A:
0.0		 6mn5E-1xx7A:
14.67
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		 4e74 PLEXIN-A4
(Homo
sapiens) 		4 / 6 LEU A1584
MET A1563
THR A1571
LEU A1581
 None
None
UNX  A1704 ( 4.4A)
None
 1.06A 6mvxA-4e74A:
undetectable
6mvxB-4e74A:
undetectable
6mvxC-4e74A:
undetectable		 6mvxA-4e74A:
14.54
6mvxB-4e74A:
14.54
6mvxC-4e74A:
14.54
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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		 5wde KINESIN-LIKE PROTEIN
KIFC3
(Homo
sapiens) 		5 / 12 VAL A 452
VAL A 745
ASP A 472
PHE A 471
ASN A 467
 None
None
UNX  A 909 ( 3.7A)
None
None
 1.42A 6mxtA-5wdeA:
undetectable		 6mxtA-5wdeA:
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.
6N91_A_DCFA401_0
(ADENOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		8 / 12 HIS A  57
ASP A  59
ILE A 183
HIS A 239
GLU A 242
HIS A 266
ASP A 323
ASP A 324
 CO  A1000 (-3.2A)
None
None
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.29A 6n91A-2amxA:
40.0		 6n91A-2amxA:
11.80
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.
6N91_A_DCFA401_0
(ADENOSINE DEAMINASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 1.07A 6n91A-3t8lA:
16.2		 6n91A-3t8lA:
8.98
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.
6N91_B_DCFB401_0
(ADENOSINE DEAMINASE)		 2amx ADENOSINE DEAMINASE
(Plasmodium
yoelii) 		8 / 12 HIS A  57
ASP A  59
ILE A 183
HIS A 239
GLU A 242
HIS A 266
ASP A 323
ASP A 324
 CO  A1000 (-3.2A)
None
None
CO  A1000 (-3.4A)
UNX  A2004 ( 4.8A)
None
CO  A1000 (-2.7A)
None
 0.29A 6n91B-2amxA:
40.0		 6n91B-2amxA:
11.80
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.
6N91_B_DCFB401_0
(ADENOSINE DEAMINASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 1.07A 6n91B-3t8lA:
16.1		 6n91B-3t8lA:
8.98
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.
6NCS_A_ACTA303_0
(N-ACETYLNEURAMINIC
ACID (SIALIC ACID)
SYNTHETASE)		 3jzy INTERSECTIN 2
(Homo
sapiens) 		3 / 3 ILE A1580
THR A1579
PRO A1586
 None
UNX  A   3 ( 3.8A)
None
 0.66A 6ncsA-3jzyA:
undetectable		 6ncsA-3jzyA:
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.
6NKN_W_CHDW102_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2pfr ARYLAMINE
N-ACETYLTRANSFERASE
2
(Homo
sapiens) 		4 / 5 ARG A 197
MET A  88
THR A  87
LEU A 110
 None
UNX  A1027 (-4.5A)
None
None
 1.35A 6nknW-2pfrA:
undetectable		 6nknW-2pfrA:
14.34