SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'BOG'


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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CQE_A_FLPA1650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.41A 1cqeA-4ph9A:
59.1		 1cqeA-4ph9A:
63.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CQE_B_FLPB2650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.42A 1cqeB-4ph9A:
59.2		 1cqeB-4ph9A:
63.06
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.
1EQG_A_IBPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 1aua PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
SEC14P
(Saccharomyces
cerevisiae) 		5 / 9 VAL A 194
VAL A 129
ILE A 182
ALA A 187
SER A 189
 BOG  A   2 (-4.5A)
None
None
None
None
 1.20A 1eqgA-1auaA:
0.0		 1eqgA-1auaA:
19.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EQG_A_IBPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		8 / 9 VAL A 117
ARG A 121
VAL A 350
TYR A 356
LEU A 360
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.55A 1eqgA-4ph9A:
59.2		 1eqgA-4ph9A:
63.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		10 / 11 VAL A 117
ARG A 121
VAL A 350
SER A 354
TYR A 356
LEU A 360
TYR A 386
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.50A 1eqgB-4ph9A:
59.3		 1eqgB-4ph9A:
63.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EQH_A_FLPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 VAL A 117
ARG A 121
VAL A 350
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.28A 1eqhA-4ph9A:
59.5		 1eqhA-4ph9A:
63.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EQH_B_FLPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 VAL A 117
ARG A 121
VAL A 350
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.32A 1eqhB-4ph9A:
59.5		 1eqhB-4ph9A:
63.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		9 / 10 VAL A 117
ARG A 121
PHE A 206
VAL A 229
VAL A 345
TYR A 349
VAL A 350
ASN A 376
LEU A 532
 BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
None
None
None
None
IBP  A 601 (-4.3A)
EDO  A 616 (-4.4A)
IBP  A 601 ( 4.9A)
 0.41A 1fe2A-4ph9A:
58.4		 1fe2A-4ph9A:
63.51
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.
1HO5_A_ADNA1604_1
(5'-NUCLEOTIDASE)		 5azb PROLIPOPROTEIN
DIACYLGLYCERYL
TRANSFERASE
(Escherichia
coli) 		5 / 11 ILE A 107
SER A 101
GLY A  72
GLY A 105
PHE A  79
 PGT  A 309 ( 4.8A)
None
None
BOG  A 303 ( 4.1A)
None
 0.91A 1ho5A-5azbA:
undetectable		 1ho5A-5azbA:
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.
1IBG_H_OBNH1_2
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN)
IGG2B-KAPPA 40-50
FAB (LIGHT CHAIN))		 3tdp FORMATE/NITRITE
TRANSPORTER
(Clostridioides
difficile) 		4 / 7 THR A 104
SER A 105
TYR A 250
LEU A   6
 None
BOG  A 267 (-2.8A)
None
None
 1.03A 1ibgL-3tdpA:
undetectable		 1ibgL-3tdpA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICR_A_NIOA604_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 6fk6 RHODOPSIN
(Bos
taurus) 		4 / 5 SER A 186
THR A  94
GLU A 181
GLY A 182
 BOG  A 409 (-2.4A)
BOG  A 409 ( 4.1A)
BOG  A 407 ( 3.0A)
BOG  A 409 ( 3.7A)
 1.21A 1icrA-6fk6A:
undetectable
1icrB-6fk6A:
undetectable		 1icrA-6fk6A:
15.21
1icrB-6fk6A:
15.21
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.
1ICU_A_NIOA221_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 6fk6 RHODOPSIN
(Bos
taurus) 		4 / 6 SER A 186
THR A  94
GLU A 181
GLY A 182
 BOG  A 409 (-2.4A)
BOG  A 409 ( 4.1A)
BOG  A 407 ( 3.0A)
BOG  A 409 ( 3.7A)
 1.17A 1icuA-6fk6A:
undetectable
1icuB-6fk6A:
undetectable		 1icuA-6fk6A:
15.21
1icuB-6fk6A:
15.21
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.
1ICV_C_NIOC708_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 6fk6 RHODOPSIN
(Bos
taurus) 		4 / 5 SER A 186
THR A  94
GLU A 181
GLY A 182
 BOG  A 409 (-2.4A)
BOG  A 409 ( 4.1A)
BOG  A 407 ( 3.0A)
BOG  A 409 ( 3.7A)
 1.19A 1icvC-6fk6A:
undetectable
1icvD-6fk6A:
undetectable		 1icvC-6fk6A:
15.21
1icvD-6fk6A:
15.21
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.
1ICV_D_NIOD706_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 6fk6 RHODOPSIN
(Bos
taurus) 		4 / 5 GLU A 181
GLY A 182
SER A 186
THR A  94
 BOG  A 407 ( 3.0A)
BOG  A 409 ( 3.7A)
BOG  A 409 (-2.4A)
BOG  A 409 ( 4.1A)
 1.18A 1icvC-6fk6A:
undetectable
1icvD-6fk6A:
undetectable		 1icvC-6fk6A:
15.21
1icvD-6fk6A:
15.21
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 ALA A 504
LEU A 367
VAL A  95
LEU A  98
LEU A 371
 BOG  A   1 ( 4.2A)
None
None
None
None
 1.08A 1jipA-3mpnA:
0.2		 1jipA-3mpnA:
22.49
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.
1K6C_B_MK1B902_1
(POL POLYPROTEIN)		 1ldi GLYCEROL UPTAKE
FACILITATOR PROTEIN
(Escherichia
coli) 		5 / 10 LEU A 216
ALA A 102
ILE A  22
GLY A  19
GLY A  96
 BOG  A 473 (-4.3A)
BOG  A 473 ( 4.1A)
None
None
None
 1.09A 1k6cA-1ldiA:
undetectable		 1k6cA-1ldiA:
15.69
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.
1KQB_B_BEZB525_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 6fk6 RHODOPSIN
(Bos
taurus) 		4 / 5 GLU A 181
GLY A 182
SER A 186
THR A  94
 BOG  A 407 ( 3.0A)
BOG  A 409 ( 3.7A)
BOG  A 409 (-2.4A)
BOG  A 409 ( 4.1A)
 1.17A 1kqbA-6fk6A:
undetectable
1kqbB-6fk6A:
undetectable		 1kqbA-6fk6A:
undetectable
1kqbB-6fk6A:
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.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		 1c4o DNA NUCLEOTIDE
EXCISION REPAIR
ENZYME UVRB
(Thermus
thermophilus) 		5 / 12 PHE A 394
LEU A 396
LEU A 332
LEU A 378
PHE A  31
 None
BOG  A9998 ( 4.5A)
None
None
None
 1.22A 1og5A-1c4oA:
0.0		 1og5A-1c4oA:
20.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PTH_A_SALA710_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		7 / 7 VAL A 117
ARG A 121
VAL A 350
LEU A 353
TYR A 356
ALA A 528
LEU A 532
 BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.53A 1pthA-4ph9A:
58.7		 1pthA-4ph9A:
63.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PTH_B_SALB711_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		7 / 7 VAL A 117
ARG A 121
VAL A 350
LEU A 353
TYR A 356
ALA A 528
LEU A 532
 BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.53A 1pthB-4ph9A:
58.7		 1pthB-4ph9A:
63.51
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.
1RA8_A_FOLA161_1
(DIHYDROFOLATE
REDUCTASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		3 / 3 ASP A 416
LYS A 481
ARG A 183
 BOG  A2000 (-3.0A)
None
None
 0.70A 1ra8A-2g3nA:
undetectable		 1ra8A-2g3nA:
13.86
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.
1RRJ_B_TTCB990_1
(DNA TOPOISOMERASE I)		 1aua PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
SEC14P
(Saccharomyces
cerevisiae) 		4 / 5 GLU A 207
ARG A 119
LYS A 116
ASP A 115
 BOG  A   1 (-2.9A)
None
None
None
 1.37A 1rrjA-1auaA:
0.0		 1rrjA-1auaA:
19.40
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.
1V2X_A_SAMA400_0
(TRNA (GM18)
METHYLTRANSFERASE)		 3hd6 AMMONIUM TRANSPORTER
RH TYPE C
(Homo
sapiens) 		5 / 12 PHE A 311
GLY A 310
GLY A 289
ILE A 267
VAL A 312
 None
None
None
None
BOG  A 501 ( 4.4A)
 0.94A 1v2xA-3hd6A:
undetectable		 1v2xA-3hd6A:
18.38
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.
1VPT_A_SAMA400_1
(VP39)		 1lpb LIPASE
(Homo
sapiens) 		3 / 3 ASP B 257
ARG B 265
ASP B 249
 BOG  B 452 ( 3.5A)
BOG  B 452 (-2.4A)
BOG  B 452 (-2.8A)
 0.87A 1vptA-1lpbB:
undetectable		 1vptA-1lpbB:
21.87
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.
1XDS_A_SAMA5635_0
(PROTEIN RDMB)		 1jmu PROTEIN MU-1
PROTEIN MU-1
(Reovirus
sp.;
Reovirus
sp.) 		5 / 12 GLY B 246
GLY B 245
LEU B 240
PHE A  20
SER A  23
 None
None
BOG  B 709 (-4.6A)
None
None
 1.19A 1xdsA-1jmuB:
undetectable		 1xdsA-1jmuB:
22.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		 3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)
(Rattus
norvegicus) 		8 / 12 LYS A  51
THR A  52
ASN A  73
ARG A  79
PHE A  91
ARG A 102
ARG A 193
TYR A 197
 SIN  A 505 (-4.8A)
None
None
None
SIN  A 505 (-4.8A)
BOG  A 510 (-3.1A)
SIN  A 505 (-4.6A)
BOG  A 510 ( 4.2A)
 0.95A 2axnA-3bifA:
33.9		 2axnA-3bifA:
62.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		 3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)
(Rattus
norvegicus) 		9 / 12 PRO A  47
LYS A  51
THR A  52
ASN A  73
ARG A  79
PHE A  91
THR A 130
ARG A 193
TYR A 197
 None
SIN  A 505 (-4.8A)
None
None
None
SIN  A 505 (-4.8A)
SIN  A 505 (-3.1A)
SIN  A 505 (-4.6A)
BOG  A 510 ( 4.2A)
 0.84A 2axnA-3bifA:
33.9		 2axnA-3bifA:
62.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		 3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)
(Rattus
norvegicus) 		10 / 12 PRO A  47
THR A  52
ASN A  73
GLY A  75
ARG A  79
PHE A  91
ALA A 129
THR A 130
ARG A 193
TYR A 197
 None
None
None
SIN  A 505 (-3.5A)
None
SIN  A 505 (-4.8A)
SIN  A 505 ( 3.9A)
SIN  A 505 (-3.1A)
SIN  A 505 (-4.6A)
BOG  A 510 ( 4.2A)
 0.65A 2axnA-3bifA:
33.9		 2axnA-3bifA:
62.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		 3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)
(Rattus
norvegicus) 		9 / 12 THR A  52
ASN A  73
GLY A  75
ARG A  79
PHE A  91
ARG A 102
ALA A 129
ARG A 193
TYR A 197
 None
None
SIN  A 505 (-3.5A)
None
SIN  A 505 (-4.8A)
BOG  A 510 (-3.1A)
SIN  A 505 ( 3.9A)
SIN  A 505 (-4.6A)
BOG  A 510 ( 4.2A)
 0.76A 2axnA-3bifA:
33.9		 2axnA-3bifA:
62.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		10 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.64A 2aylA-4ph9A:
59.3		 2aylA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		10 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.45A 2aylA-4ph9A:
59.3		 2aylA-4ph9A:
64.31
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.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 LEU A 416
LEU A 388
ALA A 504
SER A 506
LEU A 507
 BOG  A 604 (-4.5A)
None
None
BOG  A 604 ( 4.0A)
None
 1.10A 2aylA-5mrwA:
0.0		 2aylA-5mrwA:
21.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AYL_B_FLPB2701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		10 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.57A 2aylB-4ph9A:
59.4		 2aylB-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AYL_B_FLPB2701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		10 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.32A 2aylB-4ph9A:
59.4		 2aylB-4ph9A:
64.31
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.
2AYL_B_FLPB2701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 LEU A 416
LEU A 388
ALA A 504
SER A 506
LEU A 507
 BOG  A 604 (-4.5A)
None
None
BOG  A 604 ( 4.0A)
None
 1.04A 2aylB-5mrwA:
1.4		 2aylB-5mrwA:
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		 4cad RAS AND A-FACTOR
CONVERTING ENZYME 1,
RCE1
(Methanococcus
maripaludis) 		5 / 12 LEU C 229
ILE C 230
ASN C 233
VAL C  96
LEU C  92
 None
None
BOG  C 301 (-3.0A)
None
None
 1.32A 2bxfB-4cadC:
2.8		 2bxfB-4cadC:
17.01
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.
2DYR_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		 4ww3 RHODOPSIN
(Todarodes
pacificus) 		4 / 7 ILE A 314
ARG A 133
MET A 126
LEU A  76
 None
BOG  A 405 (-3.6A)
None
None
 0.99A 2dyrN-4ww3A:
0.4
2dyrW-4ww3A:
undetectable		 2dyrN-4ww3A:
20.70
2dyrW-4ww3A:
9.41
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.
2EIN_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		 4ww3 RHODOPSIN
(Todarodes
pacificus) 		4 / 6 ILE A 314
ARG A 133
MET A 126
LEU A  76
 None
BOG  A 405 (-3.6A)
None
None
 1.00A 2einN-4ww3A:
2.7
2einW-4ww3A:
undetectable		 2einN-4ww3A:
20.70
2einW-4ww3A:
9.41
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.
2QD5_B_CHDB1103_0
(FERROCHELATASE)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		4 / 8 LEU A 360
SER A 120
VAL A 524
GLY A 527
 IBP  A 601 ( 4.7A)
BOG  A 604 (-2.8A)
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
 1.04A 2qd5B-4ph9A:
undetectable		 2qd5B-4ph9A:
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.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		6 / 12 ASP A  87
ASP A 212
ILE A 213
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 (-3.0A)
None
None
 1.37A 2qmjA-2g3nA:
40.7		 2qmjA-2g3nA:
27.40
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.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		10 / 12 ASP A  87
ASP A 212
ILE A 213
ILE A 249
TRP A 284
ASP A 320
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
None
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.46A 2qmjA-2g3nA:
40.7		 2qmjA-2g3nA:
27.40
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.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 12 ASP A 416
ASP A  87
ARG A 400
ASP A 320
HIS A 252
 BOG  A2000 (-3.0A)
BOG  A2000 (-2.7A)
BOG  A2000 (-3.1A)
None
None
 1.34A 2qmjA-2g3nA:
40.7		 2qmjA-2g3nA:
27.40
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.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 12 ASP A 445
ILE A 249
ILE A 213
ASP A 416
ALA A  88
 None
None
None
BOG  A2000 (-3.0A)
None
 1.33A 2qmjA-2g3nA:
40.7		 2qmjA-2g3nA:
27.40
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.
2QMJ_A_ACRA1001_2
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 6 TYR A 184
TRP A 318
MET A 321
TRP A 413
THR A 418
 BOG  A2000 (-4.5A)
None
BOG  A2000 ( 4.0A)
None
None
 0.34A 2qmjA-2g3nA:
40.7		 2qmjA-2g3nA:
27.40
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.
2RCT_A_RTLA140_0
(RETINOL-BINDING
PROTEIN II, CELLULAR)		 1aua PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
SEC14P
(Saccharomyces
cerevisiae) 		5 / 12 MET A  75
ALA A  64
ARG A  60
TYR A 205
VAL A 148
 None
BOG  A   1 ( 4.5A)
None
None
None
 1.10A 2rctA-1auaA:
undetectable		 2rctA-1auaA:
16.55
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.
2V0M_B_KLNB1499_1
(CYTOCHROME P450 3A4)		 4ycr TELLURITE RESISTANCE
PROTEIN TEHA HOMOLOG
(Haemophilus
influenzae) 		4 / 7 SER A  24
THR A 302
ILE A  96
GLY A  15
 None
None
None
BOG  A 401 ( 4.2A)
 0.98A 2v0mB-4ycrA:
undetectable		 2v0mB-4ycrA:
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.
2X2I_A_QPSA1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		6 / 12 ASP A  87
ASP A 212
ASP A 320
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 (-3.0A)
None
None
 0.44A 2x2iA-2g3nA:
31.4		 2x2iA-2g3nA:
23.03
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.
2X2I_A_QPSA1050_2
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		4 / 6 TRP A 318
MET A 321
ARG A 400
TRP A 413
 None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
None
 0.48A 2x2iA-2g3nA:
31.4		 2x2iA-2g3nA:
23.03
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.
2X2I_B_QPSB1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		7 / 12 ASP A  87
ASP A 212
ASP A 320
MET A 321
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.0A)
None
None
 0.47A 2x2iB-2g3nA:
31.4		 2x2iB-2g3nA:
23.03
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.
2X2I_C_QPSC1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		7 / 12 ASP A  87
ASP A 212
ASP A 320
MET A 321
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.0A)
None
None
 0.40A 2x2iC-2g3nA:
31.4		 2x2iC-2g3nA:
23.03
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.
2X2I_D_QPSD1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		7 / 12 ASP A  87
ASP A 212
ASP A 320
MET A 321
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.0A)
None
None
 0.40A 2x2iD-2g3nA:
31.3		 2x2iD-2g3nA:
23.03
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 2xh6 HEAT-LABILE
ENTEROTOXIN B CHAIN
(Clostridium
perfringens) 		4 / 4 ARG A 185
GLY A 183
GLU A 181
SER A 154
 BOG  A1320 (-3.1A)
None
BOG  A1320 (-3.6A)
None
 1.10A 2xctS-2xh6A:
undetectable
2xctU-2xh6A:
undetectable		 2xctS-2xh6A:
18.12
2xctU-2xh6A:
18.12
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.
3A25_A_SAMA279_0
(UNCHARACTERIZED
PROTEIN PH0793)		 2w1p AQUAPORIN PIP2-7
7

(Komagataella
pastoris) 		5 / 12 SER A  38
ASN A  43
ARG A 129
GLY A 108
ILE A 102
 BOG  A1277 (-4.7A)
None
None
None
None
 1.34A 3a25A-2w1pA:
undetectable		 3a25A-2w1pA:
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.
3A51_C_VDYC6178_1
(VITAMIN D
HYDROXYLASE)		 4keg MALTOSE-BINDING
PERIPLASMIC/PALATE
LUNG AND NASAL
EPITHELIUM CLONE
FUSION PROTEIN
(Escherichia
coli;
Homo
sapiens) 		5 / 12 ILE A 108
LEU A 262
ILE A  59
VAL A  23
LEU A  20
 None
None
None
BOG  A1301 ( 4.1A)
None
 1.01A 3a51C-4kegA:
undetectable		 3a51C-4kegA:
23.63
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.
3ABL_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 4ww3 RHODOPSIN
(Todarodes
pacificus) 		4 / 7 ILE A 314
ARG A 133
MET A 126
LEU A  76
 None
BOG  A 405 (-3.6A)
None
None
 0.94A 3ablA-4ww3A:
1.6
3ablJ-4ww3A:
undetectable		 3ablA-4ww3A:
20.70
3ablJ-4ww3A:
9.41
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.
3ARU_A_PNXA607_1
(CHITINASE A)		 1u7g PROBABLE AMMONIUM
TRANSPORTER
(Escherichia
coli) 		5 / 8 VAL A 299
GLY A 292
GLY A 268
ALA A 267
GLU A 249
 BOG  A 400 ( 4.6A)
None
None
None
BOG  A 400 (-3.7A)
 1.25A 3aruA-1u7gA:
undetectable		 3aruA-1u7gA:
23.68
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.
3AXZ_A_ADNA401_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 5azb PROLIPOPROTEIN
DIACYLGLYCERYL
TRANSFERASE
(Escherichia
coli) 		5 / 12 GLY A  71
GLY A  75
LEU A 106
GLY A 105
GLY A 108
 PGT  A 309 ( 3.7A)
None
None
BOG  A 303 ( 4.1A)
PGT  A 309 (-3.6A)
 0.81A 3axzA-5azbA:
undetectable		 3axzA-5azbA:
23.58
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.
3CCF_B_BEZB261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 3tb4 VIBRIOBACTIN-SPECIFI
C ISOCHORISMATASE
(Vibrio
cholerae) 		4 / 8 ILE A 150
TRP A  93
PHE A  92
TYR A 121
 BOG  A 501 (-3.5A)
BOG  A 501 ( 2.7A)
None
BOG  A 501 (-4.1A)
 1.24A 3ccfB-3tb4A:
3.5		 3ccfB-3tb4A:
23.26
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)		 4ezd UREA TRANSPORTER 1
(Bos
taurus) 		4 / 8 GLY A 238
GLY A 237
GLY A 226
ILE A 228
 BOG  A 405 (-3.6A)
None
None
None
 0.68A 3d41A-4ezdA:
undetectable		 3d41A-4ezdA:
23.74
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.
3EEO_A_SAMA328_1
(MODIFICATION
METHYLASE HHAI)		 1c4o DNA NUCLEOTIDE
EXCISION REPAIR
ENZYME UVRB
(Thermus
thermophilus) 		3 / 3 GLU A 526
SER A 552
VAL A 551
 BOG  A9998 (-3.7A)
None
None
 0.82A 3eeoA-1c4oA:
undetectable		 3eeoA-1c4oA:
20.06
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.
3EM0_A_CHDA153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2r4j AEROBIC
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
(Escherichia
coli) 		4 / 5 ILE A 101
PHE A 257
PHE A  87
TYR A 141
 BOG  A 800 ( 4.0A)
None
None
None
 1.35A 3em0A-2r4jA:
undetectable		 3em0A-2r4jA:
15.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM0_B_CHDB153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2r4j AEROBIC
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
(Escherichia
coli) 		5 / 7 ILE A 101
PHE A 257
PHE A  87
TYR A 141
GLY A 122
 BOG  A 800 ( 4.0A)
None
None
None
None
 1.24A 3em0B-2r4jA:
undetectable		 3em0B-2r4jA:
15.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FC6_C_REAC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 6fk6 RHODOPSIN
(Bos
taurus) 		5 / 12 VAL A 227
ALA A 233
ALA A 234
GLN A 237
VAL A 254
 BOG  A 410 ( 4.9A)
None
None
None
None
 0.76A 3fc6C-6fk6A:
2.3		 3fc6C-6fk6A:
15.81
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.
3GWX_A_EPAA1_1
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)
(Rattus
norvegicus) 		5 / 10 VAL A 387
LEU A 372
VAL A 322
VAL A 375
LEU A 397
 BOG  A 525 ( 4.8A)
None
None
BOG  A 525 (-3.8A)
None
 0.99A 3gwxA-3bifA:
undetectable		 3gwxA-3bifA:
19.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HS6_A_EPAA1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		10 / 12 VAL A 117
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 535
 BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
EDO  A 616 ( 4.4A)
 0.37A 3hs6A-4ph9A:
63.3		 3hs6A-4ph9A:
99.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HS6_A_EPAA1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		10 / 12 VAL A 117
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
 BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
 0.62A 3hs6A-4ph9A:
63.3		 3hs6A-4ph9A:
99.28
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.
3K9F_F_LFXF0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 2xh6 HEAT-LABILE
ENTEROTOXIN B CHAIN
(Clostridium
perfringens) 		4 / 5 SER A 154
ARG A 185
GLY A 183
GLU A 181
 None
BOG  A1320 (-3.1A)
None
BOG  A1320 (-3.6A)
 1.28A 3k9fA-2xh6A:
undetectable
3k9fB-2xh6A:
undetectable
3k9fC-2xh6A:
undetectable		 3k9fA-2xh6A:
21.33
3k9fB-2xh6A:
21.33
3k9fC-2xh6A:
21.19
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.
3KO0_R_TFPR201_1
(PROTEIN S100-A4)		 4ycr TELLURITE RESISTANCE
PROTEIN TEHA HOMOLOG
(Haemophilus
influenzae) 		5 / 10 GLY A 256
PHE A  80
PHE A 119
PHE A  82
GLY A  12
 BOG  A 401 ( 4.0A)
None
None
BOG  A 401 (-4.1A)
BOG  A 401 (-3.3A)
 1.48A 3ko0R-4ycrA:
undetectable
3ko0T-4ycrA:
0.9		 3ko0R-4ycrA:
15.38
3ko0T-4ycrA:
15.38
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.
3L4W_A_MIGA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		11 / 12 TYR A 184
ASP A 212
ILE A 213
ILE A 249
TRP A 284
TRP A 318
ASP A 320
TRP A 413
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-4.5A)
None
None
None
None
None
None
None
BOG  A2000 (-3.0A)
None
None
 0.60A 3l4wA-2g3nA:
37.8		 3l4wA-2g3nA:
27.40
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.
3L4W_A_MIGA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		11 / 12 TYR A 184
ASP A 212
ILE A 213
ILE A 249
TRP A 318
ASP A 320
MET A 321
TRP A 413
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-4.5A)
None
None
None
None
None
BOG  A2000 ( 4.0A)
None
BOG  A2000 (-3.0A)
None
None
 0.32A 3l4wA-2g3nA:
37.8		 3l4wA-2g3nA:
27.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LN1_C_CELC682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		7 / 7 ARG A 121
GLN A 193
SER A 354
LEU A 385
ARG A 514
ILE A 518
PHE A 519
 BOG  A 604 ( 3.7A)
None
None
None
None
None
None
 0.42A 3ln1C-4ph9A:
63.8		 3ln1C-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LN1_D_CELD682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		5 / 5 ARG A 121
LEU A 385
ARG A 514
ILE A 518
PHE A 519
 BOG  A 604 ( 3.7A)
None
None
None
None
 0.43A 3ln1D-4ph9A:
63.8		 3ln1D-4ph9A:
99.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LSF_B_PZIB802_0
(GLUTAMATE RECEPTOR 2)		 1lpb LIPASE
(Homo
sapiens) 		3 / 3 SER B 333
ASP B 272
ASN B  92
 BOG  B 452 (-3.5A)
None
None
 0.99A 3lsfB-1lpbB:
0.0
3lsfE-1lpbB:
0.0		 3lsfB-1lpbB:
18.93
3lsfE-1lpbB:
18.93
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.
3LSF_E_PZIE802_0
(GLUTAMATE RECEPTOR 2)		 1lpb LIPASE
(Homo
sapiens) 		3 / 3 ASP B 272
ASN B  92
SER B 333
 None
None
BOG  B 452 (-3.5A)
 0.99A 3lsfB-1lpbB:
0.0
3lsfE-1lpbB:
0.0		 3lsfB-1lpbB:
18.93
3lsfE-1lpbB:
18.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N8W_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		12 / 12 VAL A 117
ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.47A 3n8wA-4ph9A:
58.7		 3n8wA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N8X_A_NIMA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		10 / 12 HIS A  90
ARG A 121
LEU A 353
TYR A 356
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
 None
BOG  A 604 ( 3.7A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.62A 3n8xA-4ph9A:
11.5		 3n8xA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N8X_B_NIMB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		10 / 12 HIS A  90
ARG A 121
LEU A 353
TYR A 356
LEU A 360
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
 None
BOG  A 604 ( 3.7A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.61A 3n8xB-4ph9A:
57.9		 3n8xB-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N8X_B_NIMB1701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		3 / 3 VAL A 117
VAL A 350
SER A 354
 BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
None
 0.12A 3n8xB-4ph9A:
57.9		 3n8xB-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N8Z_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		12 / 12 VAL A 117
ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.55A 3n8zA-4ph9A:
58.5		 3n8zA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N8Z_B_FLPB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 385
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
None
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.57A 3n8zB-4ph9A:
58.6		 3n8zB-4ph9A:
64.31
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.
3NK7_B_SAMB770_0
(23S RRNA
METHYLTRANSFERASE)		 3hd6 AMMONIUM TRANSPORTER
RH TYPE C
(Homo
sapiens) 		6 / 12 PHE A 311
GLY A 310
GLY A 289
ILE A 267
SER A 317
VAL A 312
 None
None
None
None
None
BOG  A 501 ( 4.4A)
 1.26A 3nk7B-3hd6A:
undetectable		 3nk7B-3hd6A:
21.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NT1_A_NPSA5_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
 0.65A 3nt1A-4ph9A:
64.9		 3nt1A-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NT1_A_NPSA5_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 ARG A 121
VAL A 350
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.46A 3nt1A-4ph9A:
64.9		 3nt1A-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NT1_B_NPSB4_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		10 / 12 ARG A 121
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
 BOG  A 604 ( 3.7A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
 0.70A 3nt1B-4ph9A:
65.0		 3nt1B-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NT1_B_NPSB4_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 ARG A 121
VAL A 350
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.46A 3nt1B-4ph9A:
65.0		 3nt1B-4ph9A:
99.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_A_NCAA192_0
(NICOTINAMIDASE)		 1u7g PROBABLE AMMONIUM
TRANSPORTER
(Escherichia
coli) 		5 / 11 PHE A 193
LEU A  35
ASP A 313
PHE A  31
LEU A 259
 None
None
BOG  A 400 (-4.7A)
NH3  A 401 ( 4.3A)
BOG  A 400 (-4.3A)
 1.45A 3o94A-1u7gA:
undetectable		 3o94A-1u7gA:
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.
3O94_B_NCAB192_0
(NICOTINAMIDASE)		 1u7g PROBABLE AMMONIUM
TRANSPORTER
(Escherichia
coli) 		5 / 11 PHE A 193
LEU A  35
ASP A 313
PHE A  31
LEU A 259
 None
None
BOG  A 400 (-4.7A)
NH3  A 401 ( 4.3A)
BOG  A 400 (-4.3A)
 1.50A 3o94B-1u7gA:
undetectable		 3o94B-1u7gA:
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.
3O94_B_NCAB192_0
(NICOTINAMIDASE)		 5mrw POTASSIUM-TRANSPORTI
NG ATPASE
ATP-BINDING SUBUNIT
(Escherichia
coli) 		5 / 11 ASP B 673
LEU B 681
LEU B 618
ILE B 622
SER B 619
 None
BOG  B 701 (-4.4A)
None
None
None
 1.47A 3o94B-5mrwB:
undetectable		 3o94B-5mrwB:
14.99
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.
3O94_C_NCAC192_0
(NICOTINAMIDASE)		 1u7g PROBABLE AMMONIUM
TRANSPORTER
(Escherichia
coli) 		5 / 11 PHE A 193
LEU A  35
ASP A 313
PHE A  31
LEU A 259
 None
None
BOG  A 400 (-4.7A)
NH3  A 401 ( 4.3A)
BOG  A 400 (-4.3A)
 1.47A 3o94C-1u7gA:
undetectable		 3o94C-1u7gA:
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.
3O94_D_NCAD192_0
(NICOTINAMIDASE)		 1u7g PROBABLE AMMONIUM
TRANSPORTER
(Escherichia
coli) 		5 / 11 PHE A 193
LEU A  35
ASP A 313
PHE A  31
LEU A 259
 None
None
BOG  A 400 (-4.7A)
NH3  A 401 ( 4.3A)
BOG  A 400 (-4.3A)
 1.46A 3o94D-1u7gA:
undetectable		 3o94D-1u7gA:
19.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PGH_A_FLPA701_1
(CYCLOOXYGENASE-2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 VAL A 117
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.54A 3pghA-4ph9A:
63.3		 3pghA-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PGH_A_FLPA701_1
(CYCLOOXYGENASE-2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 VAL A 117
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
 BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.37A 3pghA-4ph9A:
63.3		 3pghA-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PGH_B_FLPB701_1
(CYCLOOXYGENASE-2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 11 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
MET A 523
VAL A 524
GLY A 527
ALA A 528
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
 0.42A 3pghB-4ph9A:
25.4		 3pghB-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PGH_C_FLPC701_1
(CYCLOOXYGENASE-2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		12 / 12 VAL A 117
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.52A 3pghC-4ph9A:
63.3		 3pghC-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PGH_D_FLPD701_1
(CYCLOOXYGENASE-2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		12 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.56A 3pghD-4ph9A:
63.3		 3pghD-4ph9A:
99.27
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.
3PGH_D_FLPD701_1
(CYCLOOXYGENASE-2)		 5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 LEU A 416
LEU A 388
ALA A 504
SER A 506
LEU A 507
 BOG  A 604 (-4.5A)
None
None
BOG  A 604 ( 4.0A)
None
 0.93A 3pghD-5mrwA:
undetectable		 3pghD-5mrwA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		11 / 12 ASP A  87
ASP A 212
ILE A 213
ILE A 249
TRP A 284
ASP A 320
ARG A 400
TRP A 413
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
None
BOG  A2000 (-3.1A)
None
BOG  A2000 (-3.0A)
None
None
 0.51A 3phaA-2g3nA:
42.7		 3phaA-2g3nA:
27.86
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.
3PHA_B_ACRB701_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		10 / 12 ASP A  87
ASP A 212
ILE A 213
ILE A 249
TRP A 284
ASP A 320
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
None
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.54A 3phaB-2g3nA:
42.6		 3phaB-2g3nA:
27.86
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.
3PHA_C_ACRC701_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		10 / 12 ASP A  87
ASP A 212
ILE A 213
TRP A 284
ASP A 320
ARG A 400
TRP A 413
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
BOG  A2000 (-3.1A)
None
BOG  A2000 (-3.0A)
None
None
 0.52A 3phaC-2g3nA:
41.5		 3phaC-2g3nA:
27.86
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.
3PHA_C_ACRC701_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		6 / 12 ASP A  87
ASP A 212
ILE A 249
ARG A 400
ASP A 416
PHE A 449
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
 1.38A 3phaC-2g3nA:
41.5		 3phaC-2g3nA:
27.86
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.
3PHA_D_ACRD701_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		10 / 12 ASP A  87
ASP A 212
ILE A 213
TRP A 284
ASP A 320
MET A 321
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.51A 3phaD-2g3nA:
41.7		 3phaD-2g3nA:
27.86
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.
3PHA_D_ACRD701_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		6 / 12 ASP A  87
ASP A 212
ILE A 249
MET A 321
ASP A 416
PHE A 449
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.0A)
None
 1.40A 3phaD-2g3nA:
41.7		 3phaD-2g3nA:
27.86
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.
3PHA_D_ACRD701_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 12 ASP A 416
ASP A  87
ARG A 400
ASP A 320
HIS A 252
 BOG  A2000 (-3.0A)
BOG  A2000 (-2.7A)
BOG  A2000 (-3.1A)
None
None
 1.29A 3phaD-2g3nA:
41.7		 3phaD-2g3nA:
27.86
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.
3POC_A_ACRA664_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		10 / 12 ASP A 212
ILE A 213
ILE A 249
TRP A 284
MET A 321
ARG A 400
TRP A 413
ASP A 416
PHE A 449
HIS A 480
 None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
None
BOG  A2000 (-3.0A)
None
None
 0.51A 3pocA-2g3nA:
41.7		 3pocA-2g3nA:
27.59
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.
3POC_A_ACRA664_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		7 / 12 ASP A 212
ILE A 249
MET A 321
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 1.38A 3pocA-2g3nA:
41.7		 3pocA-2g3nA:
27.59
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.
3POC_B_ACRB664_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		10 / 12 ASP A 212
ILE A 213
ILE A 249
TRP A 284
MET A 321
ARG A 400
TRP A 413
ASP A 416
PHE A 449
HIS A 480
 None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
None
BOG  A2000 (-3.0A)
None
None
 0.55A 3pocB-2g3nA:
42.5		 3pocB-2g3nA:
27.59
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.
3POC_B_ACRB664_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		7 / 12 ASP A 212
ILE A 249
MET A 321
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 1.40A 3pocB-2g3nA:
42.5		 3pocB-2g3nA:
27.59
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.
3Q87_B_SAMB300_0
(N6 ADENINE SPECIFIC
DNA METHYLASE)		 1u7g PROBABLE AMMONIUM
TRANSPORTER
(Escherichia
coli) 		5 / 12 THR A 362
GLY A 319
ILE A 359
ASP A 313
LEU A 302
 None
None
None
BOG  A 400 (-4.7A)
None
 1.09A 3q87B-1u7gA:
undetectable		 3q87B-1u7gA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R2J_B_NIOB311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 3tb4 VIBRIOBACTIN-SPECIFI
C ISOCHORISMATASE
(Vibrio
cholerae) 		5 / 11 ASP A  35
PHE A  40
TRP A  93
LYS A 118
TYR A 121
 None
BOG  A 501 (-4.5A)
BOG  A 501 ( 2.7A)
None
BOG  A 501 (-4.1A)
 0.81A 3r2jB-3tb4A:
19.3		 3r2jB-3tb4A:
24.81
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.
3R2J_C_NIOC311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 3tb4 VIBRIOBACTIN-SPECIFI
C ISOCHORISMATASE
(Vibrio
cholerae) 		5 / 12 ASP A  35
PHE A  40
TRP A  93
LYS A 118
TYR A 121
 None
BOG  A 501 (-4.5A)
BOG  A 501 ( 2.7A)
None
BOG  A 501 (-4.1A)
 0.84A 3r2jC-3tb4A:
19.5		 3r2jC-3tb4A:
24.81
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.
3R2J_D_NIOD311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 3tb4 VIBRIOBACTIN-SPECIFI
C ISOCHORISMATASE
(Vibrio
cholerae) 		5 / 11 ASP A  35
PHE A  40
TRP A  93
LYS A 118
TYR A 121
 None
BOG  A 501 (-4.5A)
BOG  A 501 ( 2.7A)
None
BOG  A 501 (-4.1A)
 0.81A 3r2jD-3tb4A:
19.4		 3r2jD-3tb4A:
24.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RR3_A_FLRA700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		12 / 12 VAL A 117
ARG A 121
VAL A 350
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.43A 3rr3A-4ph9A:
63.6		 3rr3A-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RR3_B_FLRB700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		12 / 12 VAL A 117
ARG A 121
VAL A 350
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.44A 3rr3B-4ph9A:
63.6		 3rr3B-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RR3_C_FLRC700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		12 / 12 VAL A 117
ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
 BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
 0.60A 3rr3C-4ph9A:
63.6		 3rr3C-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RR3_D_FLRD700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		12 / 12 VAL A 117
ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
 BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
 0.60A 3rr3D-4ph9A:
63.6		 3rr3D-4ph9A:
99.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TOP_A_ACRA1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		10 / 12 ASP A  87
ASP A 212
ILE A 249
TRP A 284
ASP A 320
MET A 321
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.56A 3topA-2g3nA:
34.9		 3topA-2g3nA:
26.29
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.
3TOP_A_ACRA1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 12 ASP A  87
TRP A 284
MET A 321
ASP A 416
PHE A 449
 BOG  A2000 (-2.7A)
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.0A)
None
 1.46A 3topA-2g3nA:
34.9		 3topA-2g3nA:
26.29
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.
3TOP_B_ACRB1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		10 / 12 ASP A  87
ASP A 212
ILE A 249
TRP A 284
ASP A 320
MET A 321
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.56A 3topB-2g3nA:
34.9		 3topB-2g3nA:
26.29
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.
3TOP_B_ACRB1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 12 ASP A 416
ASP A  87
ARG A 400
ASP A 320
HIS A 252
 BOG  A2000 (-3.0A)
BOG  A2000 (-2.7A)
BOG  A2000 (-3.1A)
None
None
 1.37A 3topB-2g3nA:
34.9		 3topB-2g3nA:
26.29
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.
3UQ6_A_ADNA401_2
(ADENOSINE KINASE,
PUTATIVE)		 4ycr TELLURITE RESISTANCE
PROTEIN TEHA HOMOLOG
(Haemophilus
influenzae) 		4 / 5 LEU A 298
ALA A 259
PHE A 260
ASN A 254
 None
BOG  A 401 (-4.0A)
None
None
 1.22A 3uq6A-4ycrA:
undetectable		 3uq6A-4ycrA:
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.
3VAQ_A_ADNA401_2
(PUTATIVE ADENOSINE
KINASE)		 4ycr TELLURITE RESISTANCE
PROTEIN TEHA HOMOLOG
(Haemophilus
influenzae) 		4 / 4 LEU A 298
ALA A 259
PHE A 260
ASN A 254
 None
BOG  A 401 (-4.0A)
None
None
 1.28A 3vaqA-4ycrA:
undetectable		 3vaqA-4ycrA:
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.
3VAS_A_ADNA401_2
(PUTATIVE ADENOSINE
KINASE)		 4ycr TELLURITE RESISTANCE
PROTEIN TEHA HOMOLOG
(Haemophilus
influenzae) 		4 / 4 LEU A 298
ALA A 259
PHE A 260
ASN A 254
 None
BOG  A 401 (-4.0A)
None
None
 1.28A 3vasA-4ycrA:
undetectable		 3vasA-4ycrA:
22.99
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.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		6 / 12 ALA A  88
ILE A 249
TRP A 318
ASP A 320
MET A 321
ARG A 400
 None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
 1.13A 3w37A-2g3nA:
41.0		 3w37A-2g3nA:
26.82
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.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		10 / 12 ASP A  87
ASP A 212
ILE A 249
TRP A 318
ASP A 320
MET A 321
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.26A 3w37A-2g3nA:
41.0		 3w37A-2g3nA:
26.82
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.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 12 ASP A 416
ASP A  87
ARG A 400
ASP A 320
HIS A 252
 BOG  A2000 (-3.0A)
BOG  A2000 (-2.7A)
BOG  A2000 (-3.1A)
None
None
 1.33A 3w37A-2g3nA:
41.0		 3w37A-2g3nA:
26.82
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.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 12 ALA A  88
ILE A 249
TRP A 318
ASP A 320
ARG A 400
 None
None
None
None
BOG  A2000 (-3.1A)
 1.17A 3welA-2g3nA:
40.9		 3welA-2g3nA:
26.82
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.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 12 ASP A  87
ASP A 212
ILE A 213
ASP A 416
PHE A 449
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 (-3.0A)
None
 1.49A 3welA-2g3nA:
40.9		 3welA-2g3nA:
26.82
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.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		9 / 12 ASP A  87
ASP A 212
ILE A 249
TRP A 318
ASP A 320
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.29A 3welA-2g3nA:
40.9		 3welA-2g3nA:
26.82
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.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 12 ASP A 416
ASP A  87
ARG A 400
ASP A 320
HIS A 252
 BOG  A2000 (-3.0A)
BOG  A2000 (-2.7A)
BOG  A2000 (-3.1A)
None
None
 1.34A 3welA-2g3nA:
40.9		 3welA-2g3nA:
26.82
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.
3WEL_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		4 / 6 ILE A 213
TRP A 284
MET A 321
TRP A 413
 None
None
BOG  A2000 ( 4.0A)
None
 0.48A 3welA-2g3nA:
40.9		 3welA-2g3nA:
26.82
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		6 / 12 ALA A  88
ASP A 212
ILE A 213
ASP A 320
MET A 321
ARG A 400
 None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
 1.18A 3wemA-2g3nA:
40.8		 3wemA-2g3nA:
26.82
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		6 / 12 ASP A  87
ALA A  90
ASP A 212
ILE A 213
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
None
 0.96A 3wemA-2g3nA:
40.8		 3wemA-2g3nA:
26.82
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		9 / 12 ASP A  87
ASP A 212
ILE A 213
ASP A 320
MET A 321
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.30A 3wemA-2g3nA:
40.8		 3wemA-2g3nA:
26.82
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		7 / 12 ASP A  87
ASP A 212
ILE A 249
MET A 321
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.0A)
None
None
 1.44A 3wemA-2g3nA:
40.8		 3wemA-2g3nA:
26.82
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 12 ASP A 416
ALA A  88
ASP A 251
ILE A 249
ASP A  87
 BOG  A2000 (-3.0A)
None
None
None
BOG  A2000 (-2.7A)
 1.26A 3wemA-2g3nA:
40.8		 3wemA-2g3nA:
26.82
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.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		7 / 12 ALA A  88
ASP A 212
ILE A 213
TRP A 318
ASP A 320
MET A 321
ARG A 400
 None
None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
 1.16A 3wenA-2g3nA:
40.7		 3wenA-2g3nA:
26.82
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.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		6 / 12 ASP A  87
ALA A  90
ASP A 212
ILE A 213
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
None
 0.96A 3wenA-2g3nA:
40.7		 3wenA-2g3nA:
26.82
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.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		10 / 12 ASP A  87
ASP A 212
ILE A 213
TRP A 318
ASP A 320
MET A 321
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.31A 3wenA-2g3nA:
40.7		 3wenA-2g3nA:
26.82
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.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		7 / 12 ASP A  87
ASP A 212
ILE A 249
MET A 321
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.0A)
None
None
 1.45A 3wenA-2g3nA:
40.7		 3wenA-2g3nA:
26.82
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.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 12 ASP A 416
ASP A  87
ARG A 400
ASP A 320
HIS A 252
 BOG  A2000 (-3.0A)
BOG  A2000 (-2.7A)
BOG  A2000 (-3.1A)
None
None
 1.36A 3wenA-2g3nA:
40.7		 3wenA-2g3nA:
26.82
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		6 / 12 ALA A  88
ASP A 212
ILE A 213
TRP A 318
ASP A 320
ARG A 400
 None
None
None
None
None
BOG  A2000 (-3.1A)
 1.12A 3weoA-2g3nA:
37.4		 3weoA-2g3nA:
26.82
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		9 / 12 ASP A  87
ASP A 212
ILE A 213
TRP A 318
ASP A 320
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.29A 3weoA-2g3nA:
37.4		 3weoA-2g3nA:
26.82
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		6 / 12 ASP A  87
ASP A 212
ILE A 249
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 (-3.0A)
None
None
 1.44A 3weoA-2g3nA:
37.4		 3weoA-2g3nA:
26.82
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 12 ASP A 416
ASP A  87
ARG A 400
ASP A 320
HIS A 252
 BOG  A2000 (-3.0A)
BOG  A2000 (-2.7A)
BOG  A2000 (-3.1A)
None
None
 1.32A 3weoA-2g3nA:
37.4		 3weoA-2g3nA:
26.82
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.
3WEO_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		4 / 6 ILE A 249
TRP A 284
MET A 321
TRP A 413
 None
None
BOG  A2000 ( 4.0A)
None
 0.42A 3weoA-2g3nA:
37.4		 3weoA-2g3nA:
26.82
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.
3WIP_A_ACHA301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 4zgv FERREDOXIN RECEPTOR
(Pectobacterium
atrosepticum) 		4 / 7 TYR A 362
THR A 416
TYR A 341
TYR A 364
 None
None
BOG  A 903 (-4.1A)
None
 1.25A 3wipA-4zgvA:
undetectable
3wipB-4zgvA:
undetectable		 3wipA-4zgvA:
14.07
3wipB-4zgvA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WIP_B_ACHB301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 4zgv FERREDOXIN RECEPTOR
(Pectobacterium
atrosepticum) 		4 / 8 TYR A 362
THR A 416
TYR A 341
TYR A 364
 None
None
BOG  A 903 (-4.1A)
None
 1.23A 3wipB-4zgvA:
undetectable
3wipC-4zgvA:
undetectable		 3wipB-4zgvA:
14.07
3wipC-4zgvA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WIP_C_ACHC301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 4zgv FERREDOXIN RECEPTOR
(Pectobacterium
atrosepticum) 		4 / 8 TYR A 362
THR A 416
TYR A 341
TYR A 364
 None
None
BOG  A 903 (-4.1A)
None
 1.26A 3wipC-4zgvA:
undetectable
3wipD-4zgvA:
undetectable		 3wipC-4zgvA:
14.07
3wipD-4zgvA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WIP_D_ACHD301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 4zgv FERREDOXIN RECEPTOR
(Pectobacterium
atrosepticum) 		4 / 8 TYR A 362
THR A 416
TYR A 341
TYR A 364
 None
None
BOG  A 903 (-4.1A)
None
 1.23A 3wipD-4zgvA:
undetectable
3wipE-4zgvA:
undetectable		 3wipD-4zgvA:
14.07
3wipE-4zgvA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WIP_E_ACHE301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 4zgv FERREDOXIN RECEPTOR
(Pectobacterium
atrosepticum) 		4 / 8 TYR A 362
THR A 416
TYR A 341
TYR A 364
 None
None
BOG  A 903 (-4.1A)
None
 1.28A 3wipA-4zgvA:
undetectable
3wipE-4zgvA:
undetectable		 3wipA-4zgvA:
14.07
3wipE-4zgvA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WIP_F_ACHF301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 4zgv FERREDOXIN RECEPTOR
(Pectobacterium
atrosepticum) 		4 / 7 TYR A 362
THR A 416
TYR A 341
TYR A 364
 None
None
BOG  A 903 (-4.1A)
None
 1.26A 3wipF-4zgvA:
undetectable
3wipG-4zgvA:
undetectable		 3wipF-4zgvA:
14.07
3wipG-4zgvA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WIP_G_ACHG301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 4zgv FERREDOXIN RECEPTOR
(Pectobacterium
atrosepticum) 		4 / 8 TYR A 362
THR A 416
TYR A 341
TYR A 364
 None
None
BOG  A 903 (-4.1A)
None
 1.29A 3wipG-4zgvA:
undetectable
3wipH-4zgvA:
undetectable		 3wipG-4zgvA:
14.07
3wipH-4zgvA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WIP_J_ACHJ301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 4zgv FERREDOXIN RECEPTOR
(Pectobacterium
atrosepticum) 		4 / 8 TYR A 362
THR A 416
TYR A 341
TYR A 364
 None
None
BOG  A 903 (-4.1A)
None
 1.26A 3wipF-4zgvA:
undetectable
3wipJ-4zgvA:
undetectable		 3wipF-4zgvA:
14.07
3wipJ-4zgvA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B9Z_A_ACRA1818_1
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 12 ASP A 212
ILE A 213
ASP A 416
PHE A 449
HIS A 480
 None
None
BOG  A2000 (-3.0A)
None
None
 1.35A 4b9zA-2g3nA:
39.9		 4b9zA-2g3nA:
25.60
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.
4B9Z_A_ACRA1818_1
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		7 / 12 ASP A 212
ILE A 249
ASP A 320
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 None
None
None
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.25A 4b9zA-2g3nA:
39.9		 4b9zA-2g3nA:
25.60
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.
4BQF_B_QPSB951_1
(ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC)		 1c4o DNA NUCLEOTIDE
EXCISION REPAIR
ENZYME UVRB
(Thermus
thermophilus) 		4 / 8 ARG A 557
GLU A 560
GLU A 561
ARG A 565
 None
None
BOG  A9998 (-3.4A)
BOG  A9998 ( 4.9A)
 1.13A 4bqfB-1c4oA:
undetectable		 4bqfB-1c4oA:
22.53
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.
4C49_D_HCYD1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 1i78 PROTEASE VII
(Escherichia
coli) 		5 / 12 SER A 137
GLN A 105
THR A 142
SER A  76
PHE A 141
 None
None
None
BOG  A 900 (-2.8A)
None
 1.31A 4c49D-1i78A:
undetectable		 4c49D-1i78A:
20.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COX_A_IMNA701_1
(CYCLOOXYGENASE-2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		9 / 12 ARG A 121
VAL A 350
SER A 354
TYR A 356
LEU A 385
VAL A 524
GLY A 527
ALA A 528
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.70A 4coxA-4ph9A:
62.8		 4coxA-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COX_A_IMNA701_1
(CYCLOOXYGENASE-2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 ARG A 121
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.59A 4coxA-4ph9A:
62.8		 4coxA-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COX_B_IMNB701_1
(CYCLOOXYGENASE-2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		9 / 12 ARG A 121
VAL A 350
SER A 354
TYR A 356
LEU A 385
VAL A 524
GLY A 527
ALA A 528
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.69A 4coxB-4ph9A:
62.6		 4coxB-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COX_B_IMNB701_1
(CYCLOOXYGENASE-2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 ARG A 121
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.58A 4coxB-4ph9A:
62.6		 4coxB-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COX_C_IMNC701_1
(CYCLOOXYGENASE-2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		12 / 12 ARG A 121
VAL A 350
LEU A 353
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.56A 4coxC-4ph9A:
62.6		 4coxC-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COX_D_IMND701_1
(CYCLOOXYGENASE-2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		9 / 12 ARG A 121
VAL A 350
SER A 354
TYR A 356
LEU A 385
VAL A 524
GLY A 527
ALA A 528
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.70A 4coxD-4ph9A:
62.8		 4coxD-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4COX_D_IMND701_1
(CYCLOOXYGENASE-2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 ARG A 121
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.59A 4coxD-4ph9A:
62.8		 4coxD-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4E1G_A_LNLA701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		5 / 5 ARG A 121
VAL A 350
LEU A 353
SER A 354
MET A 523
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
None
 0.20A 4e1gA-4ph9A:
64.6		 4e1gA-4ph9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4E1G_B_LNLB701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		12 / 12 ARG A 121
PHE A 206
PHE A 210
TYR A 356
ILE A 378
PHE A 382
TYR A 386
GLY A 527
ALA A 528
SER A 531
GLY A 534
LEU A 535
 BOG  A 604 ( 3.7A)
None
EDO  A 616 (-3.5A)
IBP  A 601 (-4.5A)
None
None
IBP  A 601 (-4.8A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
EDO  A 616 (-3.0A)
EDO  A 616 ( 4.4A)
 0.16A 4e1gB-4ph9A:
64.9		 4e1gB-4ph9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4E1G_B_LNLB701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		8 / 12 ARG A 121
PHE A 211
TYR A 356
ILE A 378
PHE A 382
GLY A 527
ALA A 528
SER A 531
 BOG  A 604 ( 3.7A)
HEM  A 602 (-4.6A)
IBP  A 601 (-4.5A)
None
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
 1.37A 4e1gB-4ph9A:
64.9		 4e1gB-4ph9A:
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.
4E7C_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 1lpb LIPASE
(Homo
sapiens) 		3 / 3 ARG B 111
TRP B 106
GLY B  76
 BOG  B 450 (-3.6A)
None
MUP  B 901 (-3.0A)
 0.92A 4e7cA-1lpbB:
0.0		 4e7cA-1lpbB:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E7C_C_ACTC506_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 1lpb LIPASE
(Homo
sapiens) 		4 / 5 ARG B 111
TRP B 106
HIS B  75
GLY B  76
 BOG  B 450 (-3.6A)
None
None
MUP  B 901 (-3.0A)
 1.15A 4e7cC-1lpbB:
0.0		 4e7cC-1lpbB:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HDL_A_DXCA75_0
(PPCA)		 3kly PUTATIVE FORMATE
TRANSPORTER 1
(Vibrio
cholerae) 		4 / 8 ILE A 210
LYS A  32
ILE A  38
GLY A  85
 None
BOG  A 282 ( 3.9A)
None
BOG  A 282 ( 4.3A)
 0.94A 4hdlA-3klyA:
undetectable		 4hdlA-3klyA:
11.43
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.
4HTF_A_SAMA301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 2w1p AQUAPORIN PIP2-7
7

(Komagataella
pastoris) 		5 / 12 GLY A 163
GLY A 164
GLY A 165
SER A 167
ALA A 161
 None
None
None
BOG  A1275 (-2.6A)
None
 0.98A 4htfA-2w1pA:
undetectable		 4htfA-2w1pA:
20.58
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.
4HTF_B_SAMB301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 2w1p AQUAPORIN PIP2-7
7

(Komagataella
pastoris) 		5 / 12 GLY A 163
GLY A 164
GLY A 165
SER A 167
ALA A 161
 None
None
None
BOG  A1275 (-2.6A)
None
 0.98A 4htfB-2w1pA:
undetectable		 4htfB-2w1pA:
20.58
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.
4K6I_A_9RAA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4ycr TELLURITE RESISTANCE
PROTEIN TEHA HOMOLOG
(Haemophilus
influenzae) 		5 / 12 ILE A 295
ALA A 265
LEU A  18
ILE A  16
LEU A  23
 None
None
BOG  A 401 ( 4.9A)
None
None
 1.03A 4k6iA-4ycrA:
undetectable		 4k6iA-4ycrA:
23.97
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.
4LTW_A_STRA301_2
(ANCESTRAL STEROID
RECEPTOR 2)		 1u7g PROBABLE AMMONIUM
TRANSPORTER
(Escherichia
coli) 		4 / 8 TRP A 135
ALA A 108
VAL A 314
PHE A 315
 None
None
BOG  A 400 ( 4.0A)
None
 1.03A 4ltwA-1u7gA:
undetectable		 4ltwA-1u7gA:
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.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 11 HIS A 480
ASP A 416
PHE A 449
ASP A 484
GLY A 485
 None
BOG  A2000 (-3.0A)
None
None
None
 1.34A 4lxzB-2g3nA:
undetectable		 4lxzB-2g3nA:
20.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_A_MXMA606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		6 / 12 MET A 114
ARG A 121
VAL A 350
LEU A 360
ALA A 528
SER A 531
 None
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
 0.71A 4m11A-4ph9A:
63.5		 4m11A-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_A_MXMA606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		9 / 12 MET A 114
LEU A 118
ARG A 121
ILE A 346
VAL A 350
LEU A 360
TRP A 388
MET A 523
ALA A 528
 None
None
BOG  A 604 ( 3.7A)
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
None
IBP  A 601 (-3.4A)
 0.53A 4m11A-4ph9A:
63.5		 4m11A-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_B_MXMB606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		9 / 12 MET A 114
VAL A 117
ARG A 121
ILE A 346
LEU A 353
LEU A 360
TRP A 388
ALA A 528
LEU A 535
 None
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
None
IBP  A 601 ( 4.7A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-3.4A)
EDO  A 616 ( 4.4A)
 0.71A 4m11B-4ph9A:
63.5		 4m11B-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_B_MXMB606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		7 / 12 MET A 114
VAL A 117
ARG A 121
ILE A 346
LEU A 353
LEU A 532
LEU A 535
 None
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
None
IBP  A 601 ( 4.7A)
IBP  A 601 ( 4.9A)
EDO  A 616 ( 4.4A)
 1.24A 4m11B-4ph9A:
63.5		 4m11B-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_B_MXMB606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		9 / 12 MET A 114
VAL A 117
ARG A 121
ILE A 346
VAL A 350
LEU A 360
TRP A 388
ALA A 528
LEU A 535
 None
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-3.4A)
EDO  A 616 ( 4.4A)
 0.53A 4m11B-4ph9A:
63.5		 4m11B-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_B_MXMB606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		8 / 12 MET A 114
VAL A 117
ARG A 121
LEU A 353
LEU A 360
TRP A 388
ALA A 528
SER A 531
 None
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 ( 4.7A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
 0.87A 4m11B-4ph9A:
63.5		 4m11B-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_B_MXMB606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		6 / 12 MET A 114
VAL A 117
ARG A 121
LEU A 353
SER A 531
LEU A 532
 None
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 ( 4.7A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 1.40A 4m11B-4ph9A:
63.5		 4m11B-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_B_MXMB606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		8 / 12 MET A 114
VAL A 117
ARG A 121
VAL A 350
LEU A 360
TRP A 388
ALA A 528
SER A 531
 None
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
 0.73A 4m11B-4ph9A:
63.5		 4m11B-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_C_MXMC606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		7 / 12 MET A 114
VAL A 117
ILE A 346
VAL A 350
LEU A 360
TRP A 388
LEU A 535
 None
BOG  A 604 (-3.9A)
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
EDO  A 616 ( 4.4A)
 0.57A 4m11C-4ph9A:
63.5		 4m11C-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_C_MXMC606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		5 / 12 MET A 114
VAL A 117
VAL A 350
LEU A 360
SER A 531
 None
BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 ( 3.3A)
 0.84A 4m11C-4ph9A:
63.5		 4m11C-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_C_MXMC606_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		3 / 3 LEU A 118
ARG A 121
MET A 523
 None
BOG  A 604 ( 3.7A)
None
 0.56A 4m11C-4ph9A:
63.5		 4m11C-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_D_MXMD606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		9 / 12 MET A 114
VAL A 117
ARG A 121
ILE A 346
VAL A 350
LEU A 360
TRP A 388
VAL A 524
ALA A 528
 None
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
 0.54A 4m11D-4ph9A:
63.6		 4m11D-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M11_D_MXMD606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		7 / 12 MET A 114
VAL A 117
ARG A 121
VAL A 350
LEU A 360
ALA A 528
SER A 531
 None
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
 0.78A 4m11D-4ph9A:
63.6		 4m11D-4ph9A:
99.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M6T_A_SAMA201_0
(RNA POLYMERASE
II-ASSOCIATED FACTOR
1 HOMOLOG, LINKER,
RNA
POLYMERASE-ASSOCIATE
D PROTEIN LEO1)		 3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)
(Rattus
norvegicus) 		4 / 4 ILE A 140
VAL A 126
VAL A  42
ARG A 137
 BOG  A 510 (-4.5A)
None
None
None
 1.35A 4m6tA-3bifA:
undetectable		 4m6tA-3bifA:
16.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1Z_A_MXMA807_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		5 / 6 VAL A 117
LEU A 118
ARG A 121
LEU A 360
MET A 523
 BOG  A 604 (-3.9A)
None
BOG  A 604 ( 3.7A)
IBP  A 601 ( 4.7A)
None
 0.64A 4o1zA-4ph9A:
58.8		 4o1zA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1Z_A_MXMA807_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		5 / 6 VAL A 117
LEU A 118
LEU A 360
PHE A 519
MET A 523
 BOG  A 604 (-3.9A)
None
IBP  A 601 ( 4.7A)
None
None
 0.77A 4o1zA-4ph9A:
58.8		 4o1zA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1Z_B_MXMB807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 MET A 114
VAL A 117
LEU A 118
ARG A 121
ILE A 346
VAL A 350
LEU A 360
TRP A 388
PHE A 519
ALA A 528
SER A 531
 None
BOG  A 604 (-3.9A)
None
BOG  A 604 ( 3.7A)
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
 0.77A 4o1zB-4ph9A:
58.8		 4o1zB-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1Z_B_MXMB807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		9 / 12 MET A 114
VAL A 117
LEU A 118
ARG A 121
TRP A 388
PHE A 519
ALA A 528
SER A 531
LEU A 532
 None
BOG  A 604 (-3.9A)
None
BOG  A 604 ( 3.7A)
None
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 1.07A 4o1zB-4ph9A:
58.8		 4o1zB-4ph9A:
64.31
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.
4ODO_A_FK5A205_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 1u7g PROBABLE AMMONIUM
TRANSPORTER
(Escherichia
coli) 		5 / 10 TYR A  32
LEU A  35
LEU A 114
LEU A 208
LEU A 259
 None
None
NH3  A 403 ( 4.6A)
NH3  A 401 (-4.5A)
BOG  A 400 (-4.3A)
 0.88A 4odoA-1u7gA:
undetectable		 4odoA-1u7gA:
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.
4ODO_B_FK5B203_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 1u7g PROBABLE AMMONIUM
TRANSPORTER
(Escherichia
coli) 		5 / 10 TYR A  32
LEU A  35
LEU A 114
LEU A 208
LEU A 259
 None
None
NH3  A 403 ( 4.6A)
NH3  A 401 (-4.5A)
BOG  A 400 (-4.3A)
 0.88A 4odoB-1u7gA:
undetectable		 4odoB-1u7gA:
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.
4ODO_C_FK5C204_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		 1u7g PROBABLE AMMONIUM
TRANSPORTER
(Escherichia
coli) 		5 / 10 TYR A  32
LEU A  35
LEU A 114
LEU A 208
LEU A 259
 None
None
NH3  A 403 ( 4.6A)
NH3  A 401 (-4.5A)
BOG  A 400 (-4.3A)
 0.88A 4odoC-1u7gA:
undetectable		 4odoC-1u7gA:
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.
4OT2_A_NPSA602_1
(SERUM ALBUMIN)		 4yl0 PROSTAGLANDIN E
SYNTHASE
(Homo
sapiens) 		4 / 6 ARG A  70
ALA A  71
LEU A 118
LYS A 120
 None
None
PEG  A 206 ( 4.0A)
BOG  A 204 (-4.0A)
 0.99A 4ot2A-4yl0A:
3.0		 4ot2A-4yl0A:
14.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R29_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 ALA A  79
GLY A  73
GLN A  72
ALA A  64
GLY A  66
 BOG  A   1 ( 4.1A)
None
None
None
None
 0.93A 4r29A-3mpnA:
undetectable		 4r29A-3mpnA:
18.31
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.
4R29_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 ALA A  79
GLY A  73
GLN A  72
ALA A  64
GLY A  66
 BOG  A   1 ( 4.1A)
None
None
None
None
 0.90A 4r29D-3mpnA:
undetectable		 4r29D-3mpnA:
18.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RS0_A_IBPA706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		9 / 9 ARG A 121
VAL A 350
LEU A 353
SER A 354
TYR A 356
LEU A 360
GLY A 527
ALA A 528
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.22A 4rs0A-4ph9A:
63.0		 4rs0A-4ph9A:
99.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCK_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 4zgv FERREDOXIN RECEPTOR
(Pectobacterium
atrosepticum) 		6 / 12 THR A 670
GLY A 120
GLY A 668
ASN A 669
SER A 117
THR A  87
 None
None
None
BOG  A 905 (-4.1A)
None
None
 1.29A 4uckA-4zgvA:
undetectable		 4uckA-4zgvA:
18.39
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.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 4zgv FERREDOXIN RECEPTOR
(Pectobacterium
atrosepticum) 		6 / 12 THR A 670
GLY A 120
GLY A 668
ASN A 669
SER A 117
THR A  87
 None
None
None
BOG  A 905 (-4.1A)
None
None
 1.30A 4uckB-4zgvA:
undetectable		 4uckB-4zgvA:
18.39
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.
4XEY_A_1N1A601_2
(TYROSINE-PROTEIN
KINASE ABL1)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		3 / 3 MET A 321
ASP A 212
PHE A 210
 BOG  A2000 ( 4.0A)
None
None
 1.06A 4xeyA-2g3nA:
1.3		 4xeyA-2g3nA:
20.86
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.
4XJ7_A_ADNA303_1
(5'/3'-NUCLEOTIDASE
SURE)		 3tb4 VIBRIOBACTIN-SPECIFI
C ISOCHORISMATASE
(Vibrio
cholerae) 		5 / 10 GLY A 145
ASP A 175
TYR A 147
ILE A  51
LEU A  54
 None
None
BOG  A 501 (-4.1A)
None
None
 1.22A 4xj7A-3tb4A:
3.3
4xj7B-3tb4A:
3.3		 4xj7A-3tb4A:
23.37
4xj7B-3tb4A:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XP6_A_B40A601_1
(TRANSPORTER)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		4 / 5 ASP A 347
VAL A  86
ASP A  87
GLY A  89
 None
None
BOG  A2000 (-2.7A)
BOG  A2000 ( 4.2A)
 1.21A 4xp6A-2g3nA:
undetectable		 4xp6A-2g3nA:
21.50
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.
4XT7_A_TOPA302_1
(RV2671)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 11 THR A 414
GLY A 415
ASP A  87
GLU A  69
THR A 325
 None
None
BOG  A2000 (-2.7A)
None
None
 1.46A 4xt7A-2g3nA:
undetectable		 4xt7A-2g3nA:
16.91
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.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 5azb PROLIPOPROTEIN
DIACYLGLYCERYL
TRANSFERASE
(Escherichia
coli) 		5 / 12 GLY A  71
GLY A  75
LEU A 106
GLY A 105
GLY A 108
 PGT  A 309 ( 3.7A)
None
None
BOG  A 303 ( 4.1A)
PGT  A 309 (-3.6A)
 0.86A 4yvgA-5azbA:
undetectable		 4yvgA-5azbA:
23.58
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.
4Z53_H_TR6H101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		 4csb VIRULENCE ASSOCIATED
PROTEIN VAPD
(Rhodococcus
hoagii) 		4 / 7 GLY A  59
ASP A  60
GLY A 132
GLU A 134
 None
BOG  A1135 (-4.4A)
None
None
 0.88A 4z53A-4csbA:
undetectable
4z53B-4csbA:
undetectable		 4z53A-4csbA:
10.65
4z53B-4csbA:
10.65
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.
5A06_A_SORA1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 6fk6 RHODOPSIN
(Bos
taurus) 		4 / 7 ARG A 135
PHE A 261
TYR A 223
TYR A 306
 None
BOG  A 407 (-4.6A)
None
None
 1.46A 5a06A-6fk6A:
undetectable		 5a06A-6fk6A:
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.
5A06_C_SORC1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 6fk6 RHODOPSIN
(Bos
taurus) 		4 / 7 ARG A 135
PHE A 261
TYR A 223
TYR A 306
 None
BOG  A 407 (-4.6A)
None
None
 1.49A 5a06C-6fk6A:
undetectable		 5a06C-6fk6A:
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.
5A06_D_SORD1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 6fk6 RHODOPSIN
(Bos
taurus) 		4 / 7 ARG A 135
PHE A 261
TYR A 223
TYR A 306
 None
BOG  A 407 (-4.6A)
None
None
 1.46A 5a06D-6fk6A:
undetectable		 5a06D-6fk6A:
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.
5A06_E_SORE1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 6fk6 RHODOPSIN
(Bos
taurus) 		4 / 7 ARG A 135
PHE A 261
TYR A 223
TYR A 306
 None
BOG  A 407 (-4.6A)
None
None
 1.48A 5a06E-6fk6A:
undetectable		 5a06E-6fk6A:
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.
5A06_F_SORF1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 6fk6 RHODOPSIN
(Bos
taurus) 		4 / 7 ARG A 135
PHE A 261
TYR A 223
TYR A 306
 None
BOG  A 407 (-4.6A)
None
None
 1.45A 5a06F-6fk6A:
undetectable		 5a06F-6fk6A:
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.
5CDQ_E_MFXE2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 2xh6 HEAT-LABILE
ENTEROTOXIN B CHAIN
(Clostridium
perfringens) 		4 / 5 SER A 154
ARG A 185
GLY A 183
GLU A 181
 None
BOG  A1320 (-3.1A)
None
BOG  A1320 (-3.6A)
 0.97A 5cdqA-2xh6A:
undetectable
5cdqB-2xh6A:
undetectable
5cdqC-2xh6A:
undetectable		 5cdqA-2xh6A:
20.41
5cdqB-2xh6A:
20.44
5cdqC-2xh6A:
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.
5CDQ_V_MFXV2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 2xh6 HEAT-LABILE
ENTEROTOXIN B CHAIN
(Clostridium
perfringens) 		4 / 5 SER A 154
ARG A 185
GLY A 183
GLU A 181
 None
BOG  A1320 (-3.1A)
None
BOG  A1320 (-3.6A)
 0.96A 5cdqR-2xh6A:
undetectable
5cdqS-2xh6A:
undetectable
5cdqT-2xh6A:
undetectable		 5cdqR-2xh6A:
20.41
5cdqS-2xh6A:
20.44
5cdqT-2xh6A:
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.
5DZK_T_BEZT801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		4 / 8 PHE A 546
ALA A 541
LEU A  22
LEU A  26
 None
None
BOG  A 806 (-4.7A)
None
 1.20A 5dzkF-3ayfA:
undetectable
5dzkT-3ayfA:
undetectable		 5dzkF-3ayfA:
14.08
5dzkT-3ayfA:
5.26
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.
5GWX_A_SAMA301_0
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 3tb4 VIBRIOBACTIN-SPECIFI
C ISOCHORISMATASE
(Vibrio
cholerae) 		5 / 12 ALA A 148
GLY A 145
PHE A  40
GLY A 170
GLY A 151
 None
None
BOG  A 501 (-4.5A)
None
CA  A 505 (-3.5A)
 1.02A 5gwxA-3tb4A:
3.5		 5gwxA-3tb4A:
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.
5HRQ_G_IPHG101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		 4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7
(Saccharomyces
cerevisiae) 		4 / 6 LEU A 281
CYH A 325
HIS A 331
LEU A 329
 None
BOG  A 405 ( 4.9A)
None
None
 1.48A 5hrqD-4zr1A:
undetectable
5hrqG-4zr1A:
undetectable
5hrqH-4zr1A:
undetectable		 5hrqD-4zr1A:
9.23
5hrqG-4zr1A:
5.04
5hrqH-4zr1A:
9.23
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.
5IEF_A_NBVA1005_1
(NEUTRAL
ALPHA-GLUCOSIDASE AB)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		9 / 12 ASP A 212
ILE A 213
ILE A 249
TRP A 318
ASP A 320
MET A 321
ASP A 416
PHE A 449
HIS A 480
 None
None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.0A)
None
None
 0.48A 5iefA-2g3nA:
38.3		 5iefA-2g3nA:
25.81
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.
5IEF_A_NBVA1005_1
(NEUTRAL
ALPHA-GLUCOSIDASE AB)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		9 / 12 ASP A 212
ILE A 249
TRP A 318
ASP A 320
MET A 321
PHE A 327
ASP A 416
PHE A 449
HIS A 480
 None
None
None
None
BOG  A2000 ( 4.0A)
None
BOG  A2000 (-3.0A)
None
None
 0.65A 5iefA-2g3nA:
38.3		 5iefA-2g3nA:
25.81
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.
5IEF_A_NBVA1005_2
(NEUTRAL
ALPHA-GLUCOSIDASE AB)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		4 / 4 ARG A 400
TRP A 413
ASP A 445
ARG A 478
 BOG  A2000 (-3.1A)
None
None
None
 0.15A 5iefA-2g3nA:
38.3		 5iefA-2g3nA:
25.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 385
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
None
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.36A 5ikqA-4ph9A:
62.7		 5ikqA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		10 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.61A 5ikqA-4ph9A:
62.7		 5ikqA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		3 / 3 VAL A 117
SER A 354
MET A 523
 BOG  A 604 (-3.9A)
None
None
 0.26A 5ikqA-4ph9A:
62.7		 5ikqA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 385
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
None
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.32A 5ikqB-4ph9A:
62.9		 5ikqB-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		10 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.61A 5ikqB-4ph9A:
62.9		 5ikqB-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKR_A_ID8A601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		10 / 12 ARG A 121
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.61A 5ikrA-4ph9A:
63.0		 5ikrA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKR_A_ID8A601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		10 / 12 ARG A 121
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.33A 5ikrA-4ph9A:
63.0		 5ikrA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKR_A_ID8A601_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		3 / 3 VAL A 117
LEU A 385
MET A 523
 BOG  A 604 (-3.9A)
None
None
 0.13A 5ikrA-4ph9A:
63.0		 5ikrA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKR_B_ID8B602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.66A 5ikrB-4ph9A:
62.8		 5ikrB-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKR_B_ID8B602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.44A 5ikrB-4ph9A:
62.8		 5ikrB-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		12 / 12 VAL A 117
ARG A 121
VAL A 350
SER A 354
TYR A 356
LEU A 385
TRP A 388
MET A 523
VAL A 524
GLY A 527
ALA A 528
LEU A 532
 BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
None
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.49A 5iktA-4ph9A:
63.1		 5iktA-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		10 / 12 VAL A 117
ARG A 121
VAL A 350
LEU A 385
TRP A 388
MET A 523
VAL A 524
GLY A 527
ALA A 528
LEU A 532
 BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.39A 5iktB-4ph9A:
63.1		 5iktB-4ph9A:
88.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 VAL A 117
VAL A 350
LEU A 353
SER A 354
LEU A 385
TRP A 388
MET A 523
VAL A 524
GLY A 527
ALA A 528
LEU A 532
 BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
None
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.33A 5iktB-4ph9A:
63.1		 5iktB-4ph9A:
88.02
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.
5IY5_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4ww3 RHODOPSIN
(Todarodes
pacificus) 		4 / 7 ILE A 314
ARG A 133
MET A 126
LEU A  76
 None
BOG  A 405 (-3.6A)
None
None
 0.89A 5iy5N-4ww3A:
1.8
5iy5W-4ww3A:
undetectable		 5iy5N-4ww3A:
20.70
5iy5W-4ww3A:
9.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JVZ_A_FLPA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		12 / 12 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.47A 5jvzA-4ph9A:
64.0		 5jvzA-4ph9A:
99.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JVZ_B_FLPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 ARG A 121
LEU A 353
SER A 354
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.55A 5jvzB-4ph9A:
64.0		 5jvzB-4ph9A:
99.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JVZ_B_FLPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 ARG A 121
VAL A 350
SER A 354
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.23A 5jvzB-4ph9A:
64.0		 5jvzB-4ph9A:
99.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JW1_A_CELA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		6 / 6 VAL A 117
LEU A 353
SER A 354
ARG A 514
ILE A 518
PHE A 519
 BOG  A 604 (-3.9A)
IBP  A 601 ( 4.7A)
None
None
None
None
 0.47A 5jw1A-4ph9A:
62.6		 5jw1A-4ph9A:
99.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JW1_B_CELB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		11 / 12 HIS A  90
ARG A 121
GLN A 193
LEU A 353
TYR A 356
LEU A 360
TRP A 388
ALA A 517
VAL A 524
GLY A 527
ALA A 528
 None
BOG  A 604 ( 3.7A)
None
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
 0.76A 5jw1B-4ph9A:
62.7		 5jw1B-4ph9A:
99.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JW1_B_CELB602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ph9 PROSTAGLANDIN G/H
SYNTHASE 2
(Mus
musculus) 		6 / 6 VAL A 117
VAL A 350
SER A 354
ARG A 514
ILE A 518
PHE A 519
 BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
None
None
None
None
 0.30A 5jw1B-4ph9A:
62.7		 5jw1B-4ph9A:
99.82
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.
5KPC_A_SAMA401_0
(PAVINE
N-METHYLTRANSFERASE)		 1nf9 PHENAZINE
BIOSYNTHESIS PROTEIN
PHZD
(Pseudomonas
aeruginosa) 		6 / 12 GLY A 149
LEU A  62
VAL A 173
ALA A 174
LEU A 172
ALA A 188
 None
None
None
None
None
BOG  A 250 (-4.6A)
 1.25A 5kpcA-1nf9A:
undetectable		 5kpcA-1nf9A:
17.54
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.
5KR2_A_ROCA101_2
(PROTEASE PR5-SQV)		 1lpb LIPASE
(Homo
sapiens) 		5 / 11 ARG B 111
ALA B 178
ASP B 176
GLY B 150
ILE B  74
 BOG  B 450 (-3.6A)
MUP  B 901 (-3.3A)
None
None
None
 1.21A 5kr2B-1lpbB:
undetectable		 5kr2B-1lpbB:
11.22
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.
5KSG_B_NIZB809_1
(CATALASE-PEROXIDASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 VAL A 582
GLY A 551
SER A 552
LEU A 549
THR A 547
 None
None
None
None
BOG  A 806 (-4.0A)
 1.35A 5ksgB-3ayfA:
2.0		 5ksgB-3ayfA:
23.34
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.
5KSN_B_NIZB809_1
(CATALASE-PEROXIDASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 VAL A 582
GLY A 551
SER A 552
LEU A 549
THR A 547
 None
None
None
None
BOG  A 806 (-4.0A)
 1.37A 5ksnB-3ayfA:
1.7		 5ksnB-3ayfA:
23.34
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.
5KT8_B_NIZB809_1
(CATALASE-PEROXIDASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 VAL A 582
GLY A 551
SER A 552
LEU A 549
THR A 547
 None
None
None
None
BOG  A 806 (-4.0A)
 1.36A 5kt8B-3ayfA:
1.5		 5kt8B-3ayfA:
23.34
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.
5LJC_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		4 / 7 LEU A 396
THR A 479
MET A 476
TRP A 406
 BOG  A 705 ( 4.1A)
None
None
None
 1.34A 5ljcA-3mpnA:
undetectable		 5ljcA-3mpnA:
14.97
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.
5MVM_A_PFLA511_1
(PROTON-GATED ION
CHANNEL)		 3tb4 VIBRIOBACTIN-SPECIFI
C ISOCHORISMATASE
(Vibrio
cholerae) 		4 / 8 ILE A   6
PRO A   4
ALA A  48
ILE A  51
 BOG  A 501 ( 4.4A)
None
None
None
 0.73A 5mvmA-3tb4A:
undetectable
5mvmB-3tb4A:
undetectable		 5mvmA-3tb4A:
14.35
5mvmB-3tb4A:
14.35
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.
5NN6_A_MIGA1013_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		9 / 12 ASP A 212
ILE A 249
TRP A 284
TRP A 318
ASP A 320
MET A 321
TRP A 413
PHE A 449
HIS A 480
 None
None
None
None
None
BOG  A2000 ( 4.0A)
None
None
None
 0.85A 5nn6A-2g3nA:
40.5		 5nn6A-2g3nA:
25.98
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.
5NN6_A_MIGA1013_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		9 / 12 ASP A 212
ILE A 249
TRP A 284
TRP A 318
ASP A 320
TRP A 413
ASP A 416
PHE A 449
HIS A 480
 None
None
None
None
None
None
BOG  A2000 (-3.0A)
None
None
 0.69A 5nn6A-2g3nA:
40.5		 5nn6A-2g3nA:
25.98
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.
5NN8_A_ACRA1015_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 12 ASP A  87
ASP A 212
ILE A 213
ASP A 416
PHE A 449
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 (-3.0A)
None
 1.47A 5nn8A-2g3nA:
31.4		 5nn8A-2g3nA:
25.98
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.
5NN8_A_ACRA1015_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		10 / 12 ASP A  87
ASP A 212
ILE A 249
TRP A 284
TRP A 318
ASP A 320
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
None
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.54A 5nn8A-2g3nA:
31.4		 5nn8A-2g3nA:
25.98
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.
5NN8_A_ACRA1015_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 12 ASP A  87
ASP A 445
ASP A 416
ASP A 320
HIS A 480
 BOG  A2000 (-2.7A)
None
BOG  A2000 (-3.0A)
None
None
 1.46A 5nn8A-2g3nA:
31.4		 5nn8A-2g3nA:
25.98
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.
5OF1_B_SALB301_1
(SPORE
COAT-ASSOCIATED
PROTEIN N)		 3zjx EPSILON-TOXIN
(Clostridium
perfringens) 		4 / 5 ALA A 181
VAL A 179
PHE A 105
ILE A 169
 BOG  A1297 ( 3.9A)
BOG  A1297 (-4.9A)
BOG  A1297 (-3.9A)
None
 0.99A 5of1B-3zjxA:
undetectable		 5of1B-3zjxA:
13.73
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.
5OV9_B_CVIB603_0
(ACETYLCHOLINESTERASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		4 / 7 TYR A 219
ASP A 326
HIS A 252
TYR A 184
 None
None
None
BOG  A2000 (-4.5A)
 1.27A 5ov9B-2g3nA:
undetectable		 5ov9B-2g3nA:
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.
5SXS_B_NIZB806_1
(CATALASE-PEROXIDASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 VAL A 582
GLY A 551
SER A 552
LEU A 549
THR A 547
 None
None
None
None
BOG  A 806 (-4.0A)
 1.37A 5sxsB-3ayfA:
1.7		 5sxsB-3ayfA:
23.34
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.
5SYI_B_NIZB805_1
(CATALASE-PEROXIDASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 VAL A 582
GLY A 551
SER A 552
LEU A 549
THR A 547
 None
None
None
None
BOG  A 806 (-4.0A)
 1.36A 5syiB-3ayfA:
0.0		 5syiB-3ayfA:
23.34
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.
5UWC_G_EDTG407_0
(INTERLEUKIN-3
RECEPTOR SUBUNIT
ALPHA)		 1lpb LIPASE
(Homo
sapiens) 		4 / 5 TRP B 106
HIS B  75
SER B 110
ARG B 111
 None
None
None
BOG  B 450 (-3.6A)
 1.40A 5uwcG-1lpbB:
2.3		 5uwcG-1lpbB:
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.
5VLM_E_CVIE301_0
(REGULATORY PROTEIN
TETR)		 3kly PUTATIVE FORMATE
TRANSPORTER 1
(Vibrio
cholerae) 		5 / 12 MET A 213
ALA A 211
LEU A 127
ILE A  42
VAL A  81
 None
None
None
BOG  A 282 ( 4.1A)
None
 1.43A 5vlmE-3klyA:
undetectable		 5vlmE-3klyA:
20.70
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.
5X7P_A_ACRA1401_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		7 / 10 TRP A 318
ASP A 320
ARG A 400
TRP A 413
ASP A 416
PHE A 449
HIS A 480
 None
None
BOG  A2000 (-3.1A)
None
BOG  A2000 (-3.0A)
None
None
 0.42A 5x7pA-2g3nA:
17.7		 5x7pA-2g3nA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4ww3 RHODOPSIN
(Todarodes
pacificus) 		4 / 6 ILE A 314
ARG A 133
MET A 126
LEU A  76
 None
BOG  A 405 (-3.6A)
None
None
 1.02A 5z86N-4ww3A:
2.1
5z86W-4ww3A:
undetectable		 5z86N-4ww3A:
20.70
5z86W-4ww3A:
9.41
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.
5ZCO_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4ww3 RHODOPSIN
(Todarodes
pacificus) 		4 / 6 ILE A 314
ARG A 133
MET A 126
LEU A  76
 None
BOG  A 405 (-3.6A)
None
None
 1.02A 5zcoN-4ww3A:
1.6
5zcoW-4ww3A:
undetectable		 5zcoN-4ww3A:
20.70
5zcoW-4ww3A:
9.41
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		3 / 3 ARG A 400
ARG A 372
ARG A 348
 BOG  A2000 (-3.1A)
None
BOG  A2000 (-3.9A)
 0.89A 6bplA-2g3nA:
undetectable
6bplB-2g3nA:
undetectable		 6bplA-2g3nA:
8.21
6bplB-2g3nA:
8.21
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.
6C9X_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		10 / 12 ASP A  87
ILE A 213
ILE A 249
TRP A 284
ASP A 320
MET A 321
ARG A 400
TRP A 413
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
None
None
None
 0.47A 6c9xA-2g3nA:
42.7		 6c9xA-2g3nA:
27.72
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.
6C9X_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		6 / 12 ASP A  87
ILE A 249
MET A 321
ARG A 400
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
None
None
 1.19A 6c9xA-2g3nA:
42.7		 6c9xA-2g3nA:
27.72
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.
6C9X_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		10 / 12 ASP A  87
ILE A 213
ILE A 249
TRP A 284
ASP A 320
MET A 321
ARG A 400
TRP A 413
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
None
None
None
 0.49A 6c9xB-2g3nA:
42.7		 6c9xB-2g3nA:
27.72
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.
6C9X_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		6 / 12 ASP A  87
ILE A 249
MET A 321
ARG A 400
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
None
None
 1.18A 6c9xB-2g3nA:
42.7		 6c9xB-2g3nA:
27.72
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.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 12 ILE A 249
MET A 321
ARG A 400
ASP A 416
PHE A 449
 None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
 0.94A 6c9zA-2g3nA:
41.5		 6c9zA-2g3nA:
27.86
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.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		11 / 12 TYR A 184
ILE A 213
ILE A 249
TRP A 284
ASP A 320
MET A 321
ARG A 400
TRP A 413
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-4.5A)
None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
None
BOG  A2000 (-3.0A)
None
None
 0.59A 6c9zA-2g3nA:
41.5		 6c9zA-2g3nA:
27.86
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.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		8 / 12 TYR A 184
ILE A 213
ILE A 249
TRP A 284
TRP A 318
TRP A 413
PHE A 449
HIS A 480
 BOG  A2000 (-4.5A)
None
None
None
None
None
None
None
 1.05A 6c9zA-2g3nA:
41.5		 6c9zA-2g3nA:
27.86
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.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 12 ASP A  87
ILE A 213
MET A 321
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
BOG  A2000 ( 4.0A)
None
None
 1.48A 6c9zB-2g3nA:
42.5		 6c9zB-2g3nA:
27.86
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.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		5 / 12 ASP A  87
ILE A 249
MET A 321
ARG A 400
PHE A 449
 BOG  A2000 (-2.7A)
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
None
 1.06A 6c9zB-2g3nA:
42.5		 6c9zB-2g3nA:
27.86
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.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		11 / 12 ASP A  87
TYR A 184
ILE A 213
ILE A 249
TRP A 284
ASP A 320
MET A 321
ARG A 400
TRP A 413
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
BOG  A2000 (-4.5A)
None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
None
None
None
 0.57A 6c9zB-2g3nA:
42.5		 6c9zB-2g3nA:
27.86
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.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		8 / 12 TYR A 184
ILE A 213
ILE A 249
TRP A 284
TRP A 318
TRP A 413
PHE A 449
HIS A 480
 BOG  A2000 (-4.5A)
None
None
None
None
None
None
None
 1.03A 6c9zB-2g3nA:
42.5		 6c9zB-2g3nA:
27.86
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.
6CA1_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		10 / 12 ASP A 212
ILE A 213
ILE A 249
ASP A 320
MET A 321
ARG A 400
TRP A 413
ASP A 416
PHE A 449
HIS A 480
 None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
None
BOG  A2000 (-3.0A)
None
None
 0.38A 6ca1A-2g3nA:
41.6		 6ca1A-2g3nA:
9.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		7 / 12 ASP A 212
ILE A 249
MET A 321
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 1.36A 6ca1A-2g3nA:
41.6		 6ca1A-2g3nA:
9.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		10 / 12 ASP A 212
ILE A 213
ILE A 249
ASP A 320
MET A 321
ARG A 400
TRP A 413
ASP A 416
PHE A 449
HIS A 480
 None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
None
BOG  A2000 (-3.0A)
None
None
 0.34A 6ca1B-2g3nA:
41.8		 6ca1B-2g3nA:
9.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		7 / 12 ASP A 212
ILE A 249
MET A 321
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 1.39A 6ca1B-2g3nA:
41.8		 6ca1B-2g3nA:
9.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		6 / 12 ASP A 212
ILE A 249
MET A 321
ARG A 400
ASP A 416
PHE A 449
 None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
 1.42A 6ca3A-2g3nA:
42.7		 6ca3A-2g3nA:
9.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		11 / 12 TYR A 184
ASP A 212
ILE A 213
ILE A 249
ASP A 320
MET A 321
ARG A 400
TRP A 413
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-4.5A)
None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
None
BOG  A2000 (-3.0A)
None
None
 0.45A 6ca3A-2g3nA:
42.7		 6ca3A-2g3nA:
9.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		8 / 12 TYR A 184
ASP A 212
ILE A 213
ILE A 249
TRP A 318
TRP A 413
PHE A 449
HIS A 480
 BOG  A2000 (-4.5A)
None
None
None
None
None
None
None
 0.88A 6ca3A-2g3nA:
42.7		 6ca3A-2g3nA:
9.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		10 / 12 ASP A 212
ILE A 213
ILE A 249
ASP A 320
MET A 321
ARG A 400
TRP A 413
ASP A 416
PHE A 449
HIS A 480
 None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
None
BOG  A2000 (-3.0A)
None
None
 0.40A 6ca3B-2g3nA:
41.7		 6ca3B-2g3nA:
9.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		9 / 12 ASP A 212
ILE A 213
ILE A 249
TRP A 284
ASP A 320
TRP A 413
ASP A 416
PHE A 449
HIS A 480
 None
None
None
None
None
None
BOG  A2000 (-3.0A)
None
None
 0.85A 6ca3B-2g3nA:
41.7		 6ca3B-2g3nA:
9.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		6 / 12 ASP A 212
ILE A 249
MET A 321
ARG A 400
ASP A 416
PHE A 449
 None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
 1.43A 6ca3B-2g3nA:
41.7		 6ca3B-2g3nA:
9.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDQ_A_NIZA809_1
(CATALASE-PEROXIDASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 VAL A 582
GLY A 551
SER A 552
LEU A 549
THR A 547
 None
None
None
None
BOG  A 806 (-4.0A)
 1.40A 6cdqA-3ayfA:
undetectable		 6cdqA-3ayfA:
7.12
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.
6CDQ_B_NIZB808_1
(CATALASE-PEROXIDASE)		 3ayf NITRIC OXIDE
REDUCTASE
(Geobacillus
stearothermophil
us) 		5 / 9 VAL A 582
GLY A 551
SER A 552
LEU A 549
THR A 547
 None
None
None
None
BOG  A 806 (-4.0A)
 1.39A 6cdqB-3ayfA:
2.2		 6cdqB-3ayfA:
7.12
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.
6ECT_A_SAMA1300_0
(STIE PROTEIN)		 1k8q TRIACYLGLYCEROL
LIPASE, GASTRIC
(Canis
lupus) 		5 / 12 ASN A  73
LEU A 179
GLY A 155
GLY A 151
SER A  99
 BOG  A1006 ( 4.5A)
None
None
None
None
 1.06A 6ectA-1k8qA:
undetectable		 6ectA-1k8qA:
20.94
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.
6EXI_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1jmu PROTEIN MU-1
(Reovirus
sp.) 		3 / 3 LEU B 219
ASN B 202
LEU B 665
 BOG  B 709 ( 4.4A)
None
None
 0.64A 6exiA-1jmuB:
undetectable		 6exiA-1jmuB:
8.31
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 2g3n ALPHA-GLUCOSIDASE
(Sulfolobus
solfataricus) 		4 / 7 ASP A  87
ARG A 400
GLN A  95
TYR A  91
 BOG  A2000 (-2.7A)
BOG  A2000 (-3.1A)
None
None
 1.29A 6g31G-2g3nA:
undetectable		 6g31G-2g3nA:
7.91