POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		1nf1 PROTEIN
(NEUROFIBROMIN)
(Homo
sapiens)		5 / 11PHE A1247
LEU A1239
LEU A1490
ILE A1497
ALA A1226
None
1.07A20.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		9 / 11ALA A 215
LEU A 219
ARG A 222
LEU A 238
HIS A 242
LEU A 260
SER A 287
ILE A 290
ALA A 291
None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
0.72A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		9 / 11PHE A 211
ALA A 215
LEU A 219
LEU A 238
HIS A 242
LEU A 260
SER A 287
ILE A 290
ALA A 291
None
None
None
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
0.60A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		9 / 11PHE A 211
TRP A 214
ALA A 215
LEU A 219
HIS A 242
LEU A 260
SER A 287
ILE A 290
ALA A 291
None
None
None
None
DKA  A1003 (-3.7A)
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
0.69A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		5 / 11PHE A 211
TRP A 214
ALA A 215
LEU A 219
ILE A 264
None
1.04A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		9 / 11TRP A 214
ALA A 215
LEU A 219
ARG A 222
HIS A 242
LEU A 260
SER A 287
ILE A 290
ALA A 291
None
None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-3.7A)
None
None
DKA  A1003 ( 4.5A)
CIT  A2001 ( 3.9A)
0.79A100.00
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.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		1wwx E74-LIKE FACTOR 5
ESE-2B
(Homo
sapiens)		5 / 11ALA A  68
LEU A  11
LEU A  69
SER A  44
ALA A  48
None
1.07A8.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		2a9j BISPHOSPHOGLYCERATE
MUTASE
(Homo
sapiens)		6 / 11ALA A 228
LEU A 222
LEU A 199
HIS A 198
ILE A 173
ALA A 174
None
1.28A18.38
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.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		2of5 LEUCINE-RICH REPEAT
AND DEATH
DOMAIN-CONTAINING
PROTEIN
(Homo
sapiens)		5 / 11ALA H 856
LEU H 857
LEU H 853
LEU H 787
ALA H 796
None
1.00A11.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		4acq ALPHA-2-MACROGLOBULI
N
(Homo
sapiens)		5 / 11ALA A 556
LEU A 540
LEU A 461
SER A 525
ILE A 526
None
1.04A16.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A
(Homo
sapiens)		5 / 11PHE A 523
LEU A 227
LEU A 229
LEU A 550
ALA A 176
None
1.05A21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		4ern TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPB
SUBUNIT
(Homo
sapiens)		5 / 11LEU A 662
LEU A 547
HIS A 551
LEU A 693
ALA A 508
None
1.06A18.50
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.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)		5 / 11LEU A  49
LEU A  28
LEU A 142
ILE A 139
ALA A 137
None
0.96A21.39
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.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1
ANAPHASE-PROMOTING
COMPLEX SUBUNIT 5
(Homo
sapiens)		5 / 11ALA O 630
LEU O 634
LEU O 601
LEU A1787
ALA A1792
None
0.90A22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		5gs0 TOLL-LIKE RECEPTOR 3
(Homo
sapiens)		5 / 11PHE A 143
LEU A 176
LEU A 164
SER A 160
ILE A 183
None
0.99A20.55
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.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		5lf8 NUCLEOSIDE
DIPHOSPHATE-LINKED
MOIETY X MOTIF 17
(Homo
sapiens)		5 / 11PHE A 284
LEU A 184
LEU A 163
LEU A  49
ALA A  59
None
None
None
None
EMC  A 402 ( 4.1A)
1.00A20.47
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.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		5te1 ATP-CITRATE SYNTHASE
(Homo
sapiens)		5 / 11ALA A 219
LEU A 217
LEU A 200
LEU A 188
ILE A  19
None
1.05A20.78
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.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		1zrz PROTEIN KINASE C,
IOTA
(Homo
sapiens)		5 / 12LEU A 341
ALA A 346
LEU A 331
LEU A 430
LEU A 488
None
1.16A21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		2nnj CYTOCHROME P450 2C8
(Homo
sapiens)		5 / 12ARG A  97
LEU A 208
ASN A 217
THR A 364
PRO A 367
HEM  A 500 (-2.6A)
225  A 501 ( 4.3A)
None
None
225  A 501 ( 4.7A)
0.92A78.99
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.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens)		5 / 12LEU A 603
LEU A 247
ASN A 607
LEU A 255
LEU A 266
None
1.16A20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		3e4e CYTOCHROME P450 2E1
(Homo
sapiens)		5 / 12ARG A 100
PHE A 116
LEU A 210
LEU A 368
PRO A 369
HEM  A 500 (-2.4A)
None
None
HEM  A 500 (-3.6A)
None
0.71A59.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		3h95 NUCLEOSIDE
DIPHOSPHATE-LINKED
MOIETY X MOTIF 6
(Homo
sapiens)		5 / 12PHE A 151
LEU A 229
ALA A 149
LEU A 270
PHE A 279
None
0.95A18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		4miv N-SULPHOGLUCOSAMINE
SULPHOHYDROLASE
(Homo
sapiens)		5 / 12PHE A 457
LEU A 461
ALA A 452
LEU A 386
PHE A 384
None
1.07A21.73
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.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		4uis GAMMA-SECRETASE
(Homo
sapiens)		5 / 12PHE A 287
LEU A 125
PRO A 136
LEU A 171
PHE A 103
None
1.09A19.53
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.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		4z6g MICROTUBULE-ACTIN
CROSS-LINKING FACTOR
1, ISOFORMS 1/2/3/5
(Homo
sapiens)		5 / 12PHE A 112
LEU A 110
ALA A 109
LEU A 139
LEU A  82
None
1.22A20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A
TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
NON-CATALYTIC
SUBUNIT TRM6
(Homo
sapiens)		5 / 12LEU A  87
LEU A 281
THR B 428
LEU A 234
PRO A 235
SAH  A 301 (-4.4A)
None
None
None
None
1.09A20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		5exr DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT
(Homo
sapiens)		5 / 12PHE C 542
LEU C 563
ALA C 749
LEU C 647
PHE C 622
None
1.16A17.38
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.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		5fwm HEAT SHOCK PROTEIN
HSP 90 BETA
(Homo
sapiens)		5 / 12LEU A 282
LEU A 215
ASN A 283
THR A  89
LEU A  51
None
1.05A20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE
(Homo
sapiens)		5 / 12ALA A 216
PHE A 124
ASN A 115
LEU A 271
PHE A 238
None
None
PO4  A 301 (-4.9A)
None
None
1.01A20.97
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.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		5vyk CHIMERA PROTEIN OF
BRS DOMAIN OF BRAF
AND CC-SAM DOMAIN OF
KSR1,SERINE/THREONIN
E-PROTEIN KINASE
B-RAF
(Homo
sapiens)		5 / 12ARG A 159
LEU A 167
ALA A 163
LEU A 132
LEU A  55
None
1.25A10.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		5xxi CYTOCHROME P450 2C9
(Homo
sapiens)		7 / 12ARG A  97
LEU A 208
ASN A 218
LEU A 366
PRO A 367
LEU A 388
PHE A 476
HEM  A 504 (-2.5A)
LSN  A 501 (-3.9A)
LSN  A 503 (-3.1A)
HEM  A 504 ( 4.4A)
LSN  A 503 (-4.1A)
LSN  A 503 (-4.6A)
LSN  A 503 (-3.8A)
0.86A96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		5xxi CYTOCHROME P450 2C9
(Homo
sapiens)		7 / 12ARG A  97
LEU A 208
THR A 364
LEU A 366
PRO A 367
LEU A 388
PHE A 476
HEM  A 504 (-2.5A)
LSN  A 501 (-3.9A)
LSN  A 503 (-3.2A)
HEM  A 504 ( 4.4A)
LSN  A 503 (-4.1A)
LSN  A 503 (-4.6A)
LSN  A 503 (-3.8A)
0.73A96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		5xxi CYTOCHROME P450 2C9
(Homo
sapiens)		6 / 12ARG A  97
PHE A 100
ALA A 103
ASN A 218
LEU A 366
PRO A 367
HEM  A 504 (-2.5A)
LSN  A 503 (-4.1A)
LSN  A 503 ( 4.0A)
LSN  A 503 (-3.1A)
HEM  A 504 ( 4.4A)
LSN  A 503 (-4.1A)
0.71A96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		5xxi CYTOCHROME P450 2C9
(Homo
sapiens)		7 / 12ARG A  97
PHE A 100
LEU A 208
ASN A 218
LEU A 366
PRO A 367
LEU A 388
HEM  A 504 (-2.5A)
LSN  A 503 (-4.1A)
LSN  A 501 (-3.9A)
LSN  A 503 (-3.1A)
HEM  A 504 ( 4.4A)
LSN  A 503 (-4.1A)
LSN  A 503 (-4.6A)
0.81A96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		5xxi CYTOCHROME P450 2C9
(Homo
sapiens)		7 / 12ARG A  97
PHE A 100
LEU A 208
THR A 364
LEU A 366
PRO A 367
LEU A 388
HEM  A 504 (-2.5A)
LSN  A 503 (-4.1A)
LSN  A 501 (-3.9A)
LSN  A 503 (-3.2A)
HEM  A 504 ( 4.4A)
LSN  A 503 (-4.1A)
LSN  A 503 (-4.6A)
0.84A96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		5xxi CYTOCHROME P450 2C9
(Homo
sapiens)		5 / 12LEU A 102
LEU A 208
ASN A 218
LEU A 388
PHE A 476
LSN  A 503 (-3.5A)
LSN  A 501 (-3.9A)
LSN  A 503 (-3.1A)
LSN  A 503 (-4.6A)
LSN  A 503 (-3.8A)
1.09A96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		5xxi CYTOCHROME P450 2C9
(Homo
sapiens)		5 / 12LEU A 102
LEU A 208
THR A 364
LEU A 388
PHE A 476
LSN  A 503 (-3.5A)
LSN  A 501 (-3.9A)
LSN  A 503 (-3.2A)
LSN  A 503 (-4.6A)
LSN  A 503 (-3.8A)
0.94A96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		5xxi CYTOCHROME P450 2C9
(Homo
sapiens)		5 / 12PHE A 100
LEU A 102
LEU A 208
ASN A 218
LEU A 388
LSN  A 503 (-4.1A)
LSN  A 503 (-3.5A)
LSN  A 501 (-3.9A)
LSN  A 503 (-3.1A)
LSN  A 503 (-4.6A)
1.16A96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		5xxi CYTOCHROME P450 2C9
(Homo
sapiens)		5 / 12PHE A 100
LEU A 102
LEU A 208
THR A 364
LEU A 388
LSN  A 503 (-4.1A)
LSN  A 503 (-3.5A)
LSN  A 501 (-3.9A)
LSN  A 503 (-3.2A)
LSN  A 503 (-4.6A)
1.08A96.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		6anu SPECTRIN BETA CHAIN,
NON-ERYTHROCYTIC 2
(Homo
sapiens)		5 / 12PHE f1125
LEU f1123
ALA f1122
LEU f1152
LEU f1094
None
1.14A21.29
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.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3
(Homo
sapiens)		5 / 12PHE A 169
LEU A 370
ALA A 371
PRO A 324
LEU A 342
None
1.25A13.40
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.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		6c9m N-ALPHA-ACETYLTRANSF
ERASE 15, NATA
AUXILIARY SUBUNIT
(Homo
sapiens)		5 / 12ALA A 283
LEU A 264
LEU A 296
PRO A 297
LEU A 301
None
0.86A10.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		1ihb CYCLIN-DEPENDENT
KINASE 6 INHIBITOR
(Homo
sapiens)		5 / 12ILE A  98
ALA A  72
LEU A 109
PRO A 106
LEU A 122
None
1.15A17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		2hau SEROTRANSFERRIN
(Homo
sapiens)		5 / 12ILE A 462
PHE A 532
ALA A 428
LEU A 564
LEU A 444
None
1.19A20.59
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.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		2rgz HEME OXYGENASE 2
(Homo
sapiens)		5 / 12ILE A  62
PHE A  67
LEU A  69
LEU A 177
PHE A 116
None
1.09A21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		2v5y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE MU
(Homo
sapiens)		5 / 12ILE A 171
PHE A 168
LEU A 169
LEU A 198
PHE A 221
None
0.96A21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		3h95 NUCLEOSIDE
DIPHOSPHATE-LINKED
MOIETY X MOTIF 6
(Homo
sapiens)		5 / 12PHE A 151
LEU A 229
ALA A 149
LEU A 270
PHE A 279
None
0.89A18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR
(Homo
sapiens)		5 / 12ILE A1603
PHE A1557
LEU A1559
ALA A1560
LEU A1642
None
0.99A17.65
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.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		4nho PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX23
(Homo
sapiens)		5 / 12ILE A 503
LEU A 480
ALA A 481
LEU A 529
PHE A 559
None
None
None
None
SO4  A 902 ( 4.9A)
1.05A20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		5exr DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT
(Homo
sapiens)		5 / 12PHE C 542
LEU C 563
ALA C 749
LEU C 647
PHE C 622
None
1.16A17.38
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.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		5h1y PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX41
(Homo
sapiens)		5 / 12ILE A 298
LEU A 269
ALA A 270
LEU A 324
PHE A 354
None
1.12A22.15
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.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		5h1y PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX41
(Homo
sapiens)		5 / 12ILE A 310
LEU A 296
ALA A 295
PRO A 258
LEU A 335
None
1.18A22.15
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.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE
(Homo
sapiens)		5 / 12ILE A 241
ALA A 216
PHE A 124
ASN A 115
LEU A 271
None
None
None
PO4  A 301 (-4.9A)
None
1.16A20.97
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.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE
(Homo
sapiens)		5 / 12ILE A 241
PHE A 124
ASN A 115
LEU A 271
PHE A 238
None
None
PO4  A 301 (-4.9A)
None
None
1.05A20.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		5xxi CYTOCHROME P450 2C9
(Homo
sapiens)		7 / 12ARG A  97
ASN A 218
THR A 364
LEU A 366
PRO A 367
LEU A 388
PHE A 476
HEM  A 504 (-2.5A)
LSN  A 503 (-3.1A)
LSN  A 503 (-3.2A)
HEM  A 504 ( 4.4A)
LSN  A 503 (-4.1A)
LSN  A 503 (-4.6A)
LSN  A 503 (-3.8A)
0.81A96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		5xxi CYTOCHROME P450 2C9
(Homo
sapiens)		7 / 12ARG A  97
ILE A  99
PHE A 100
ALA A 103
ASN A 218
LEU A 366
PRO A 367
HEM  A 504 (-2.5A)
None
LSN  A 503 (-4.1A)
LSN  A 503 ( 4.0A)
LSN  A 503 (-3.1A)
HEM  A 504 ( 4.4A)
LSN  A 503 (-4.1A)
0.84A96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		5xxi CYTOCHROME P450 2C9
(Homo
sapiens)		8 / 12ARG A  97
ILE A  99
PHE A 100
ASN A 218
THR A 364
LEU A 366
PRO A 367
LEU A 388
HEM  A 504 (-2.5A)
None
LSN  A 503 (-4.1A)
LSN  A 503 (-3.1A)
LSN  A 503 (-3.2A)
HEM  A 504 ( 4.4A)
LSN  A 503 (-4.1A)
LSN  A 503 (-4.6A)
0.91A96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		5xxi CYTOCHROME P450 2C9
(Homo
sapiens)		5 / 12ILE A  99
PHE A 100
LEU A 102
ALA A 103
ASN A 218
None
LSN  A 503 (-4.1A)
LSN  A 503 (-3.5A)
LSN  A 503 ( 4.0A)
LSN  A 503 (-3.1A)
1.03A96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		5xxi CYTOCHROME P450 2C9
(Homo
sapiens)		6 / 12ILE A  99
PHE A 100
LEU A 102
ASN A 218
THR A 364
LEU A 388
None
LSN  A 503 (-4.1A)
LSN  A 503 (-3.5A)
LSN  A 503 (-3.1A)
LSN  A 503 (-3.2A)
LSN  A 503 (-4.6A)
1.12A96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		5xxi CYTOCHROME P450 2C9
(Homo
sapiens)		5 / 12LEU A 102
ASN A 218
THR A 364
LEU A 388
PHE A 476
LSN  A 503 (-3.5A)
LSN  A 503 (-3.1A)
LSN  A 503 (-3.2A)
LSN  A 503 (-4.6A)
LSN  A 503 (-3.8A)
0.94A96.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN
(Escherichia
virus
T4;
Homo
sapiens)		5 / 12ILE A1791
PHE A1788
LEU A1786
ALA A1787
LEU A1808
None
D7W  A4006 (-3.1A)
OLA  A4007 ( 4.3A)
OLA  A4007 ( 4.6A)
None
1.22A9.83