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.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		1htr GASTRICSIN
(Homo
sapiens)		4 / 7SER B  52
PHE B  15
ALA B 115
PHE B 112
None
1.20A22.22
20.28
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.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		1n7d LOW-DENSITY
LIPOPROTEIN RECEPTOR
(Homo
sapiens)		4 / 7PHE A 634
SER A 376
ALA A 378
PHE A 593
None
1.16A14.00
20.39
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.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		2n8y ALPHA-ACTININ-1
(Homo
sapiens)		4 / 7PHE A 771
SER A 754
PHE A 792
ALA A 773
None
1.22A21.13
15.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		3e0l GUANINE DEAMINASE
(Homo
sapiens)		4 / 7PHE A 108
SER A  86
ALA A 110
PHE A  90
None
0.97A17.03
22.32
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.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		3nvn PLEXIN-C1
(Homo
sapiens)		4 / 7MET B 333
SER B 297
PHE B 238
ALA B 307
None
1.19A17.83
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		3t6g BREAST CANCER
ANTI-ESTROGEN
RESISTANCE PROTEIN 1
(Homo
sapiens)		4 / 7SER B 782
SER B 839
ALA B 843
PHE B 778
None
1.17A23.24
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		4e1o HISTIDINE
DECARBOXYLASE
(Homo
sapiens)		4 / 7PHE A 133
SER A 140
PHE A 299
ALA A 124
None
1.17A20.28
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		4nsd CALCIUM UPTAKE
PROTEIN 1,
MITOCHONDRIAL
(Homo
sapiens)		4 / 7PHE A 211
SER A 205
PHE A 282
ALA A 277
None
1.04A21.37
23.43
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.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		4rg6 CELL DIVISION CYCLE
PROTEIN 27 HOMOLOG
(Homo
sapiens)		4 / 7PHE A 720
SER A 675
ALA A 716
PHE A 713
None
1.09A16.42
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		4yl0 PROSTAGLANDIN E
SYNTHASE
(Homo
sapiens)		4 / 7PHE A  16
SER A  10
PHE A  82
ALA A  99
None
1.18A22.39
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15
(Homo
sapiens)		4 / 7PHE A 565
SER A 560
PHE A 671
ALA A 563
None
1.21A15.70
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GM7_B_PNNB1577_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		1ohq IMMUNOGLOBULIN
(Homo
sapiens)		4 / 8MET A  34
PHE A 109
ALA A  24
ILE A  29
None
1.17A21.00
13.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GM7_B_PNNB1577_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		1w0h 3'-5' EXONUCLEASE
ERI1
(Homo
sapiens)		4 / 8PHE A 147
ALA A 137
PHE A 238
ILE A 152
None
AMP  A1002 (-3.6A)
AMP  A1002 (-4.5A)
None
1.03A18.80
16.39
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.
1GM7_B_PNNB1577_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		2k3t FILAMIN-A
(Homo
sapiens)		4 / 8SER A2455
PHE A2450
SER A2510
ILE A2507
None
0.83A19.62
11.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GM7_B_PNNB1577_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8MET A 322
ALA A 376
PHE A 315
ILE A 311
None
0.95A15.16
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GM7_B_PNNB1577_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		3jwo HIV-1 GP120 ENVELOPE
GLYCOPROTEIN
(Homo
sapiens)		4 / 8SER A  56
SER A 115
PHE A 210
ILE A 108
None
0.90A18.03
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GM7_B_PNNB1577_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		3thc BETA-GALACTOSIDASE
(Homo
sapiens)		4 / 8SER A 302
PHE A  48
SER A  52
ILE A 119
None
0.89A15.02
22.46
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.
1GM7_B_PNNB1577_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		4c41 CORTICOSTEROID-BINDI
NG GLOBULIN
(Homo
sapiens)		4 / 8SER A  44
SER A 341
ALA A 327
ILE A 160
None
1.16A20.49
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GM7_B_PNNB1577_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		5hmp UNCONVENTIONAL
MYOSIN-VC
(Homo
sapiens)		4 / 8SER A 170
ALA A 174
PHE A 178
ILE A 137
None
1.13A14.23
20.69
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.
1GM7_B_PNNB1577_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		5nqa POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 4
(Homo
sapiens)		4 / 8SER A 358
SER A 317
ALA A 315
ILE A 244
None
EDO  A 625 ( 4.5A)
None
None
0.95Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		2a1x PHYTANOYL-COA
DIOXYGENASE
(Homo
sapiens)		5 / 12MET A 101
HIS A 175
ASP A 177
LEU A 206
HIS A 264
None
FE2  A 450 ( 3.3A)
FE2  A 450 ( 2.8A)
None
FE2  A 450 ( 3.4A)
1.43A22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		2ado MEDIATOR OF DNA
DAMAGE CHECKPOINT
PROTEIN 1
(Homo
sapiens)		5 / 12SER A1924
ASP A1902
HIS A1954
VAL A1927
PHE A1897
None
1.28A22.57
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.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		2ado MEDIATOR OF DNA
DAMAGE CHECKPOINT
PROTEIN 1
(Homo
sapiens)		5 / 12SER A1924
HIS A1954
ASP A1902
VAL A1927
PHE A1897
None
1.20A22.57
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.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		3v4p INTEGRIN ALPHA-4
(Homo
sapiens)		5 / 12SER A 424
LEU A 394
LEU A 342
VAL A 417
PHE A 397
None
1.49A19.70
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.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		4r3z ARGININE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens)		5 / 12ASP B 388
HIS B 237
SER B 214
VAL B 408
PHE B 416
None
1.37A17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		5deu METHYLCYTOSINE
DIOXYGENASE TET2,
CHIMERIC CONSTRUCT
(Homo
sapiens)		5 / 12HIS A1382
ASP A1384
HIS A1881
SER A1898
VAL A1900
 FE  A2003 (-3.3A)
FE  A2003 ( 2.4A)
FE  A2003 ( 3.2A)
OGA  A2001 (-2.7A)
OGA  A2001 ( 4.9A)
0.61A21.54
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.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		5deu METHYLCYTOSINE
DIOXYGENASE TET2,
CHIMERIC CONSTRUCT
(Homo
sapiens)		5 / 12SER A1286
HIS A1881
LEU A1872
SER A1898
VAL A1900
None
FE  A2003 ( 3.2A)
None
OGA  A2001 (-2.7A)
OGA  A2001 ( 4.9A)
1.50A21.54
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.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1
(Homo
sapiens)		5 / 12LEU A2001
LEU A2028
VAL A1971
PHE A1945
ILE A2014
None
1.46A4.91
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.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		1b8k PROTEIN
(NEUROTROPHIN-3)
(Homo
sapiens)		3 / 3ARG A 100
ARG A  31
ILE A  28
None
0.76A16.03
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.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		1fnf FIBRONECTIN
(Homo
sapiens)		3 / 3ARG A1358
ARG A1360
ILE A1410
None
0.74A24.43
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.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		1xwi SKD1 PROTEIN
(Homo
sapiens)		3 / 3ARG A 289
ARG A 295
ILE A 236
None
0.75A22.54
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.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		1y8p [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 3
(Homo
sapiens)		3 / 3ARG A 336
ARG A 368
ILE A 159
None
0.81A21.55
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.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens)		3 / 3ARG A 363
ARG A 411
ILE A 416
None
0.78A19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1
(Homo
sapiens)		3 / 3ARG A 310
ARG A 312
ILE A 584
FAD  A1001 (-4.4A)
None
None
0.76A18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		2qqh COMPLEMENT COMPONENT
C8 ALPHA CHAIN
(Homo
sapiens)		3 / 3ARG A 454
ARG A 450
ILE A 434
None
0.79A20.37
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.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		3in5 DNA POLYMERASE KAPPA
(Homo
sapiens)		3 / 3ARG A 339
ARG A  97
ILE A 335
None
0.69A19.53
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.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		3rc3 ATP-DEPENDENT RNA
HELICASE SUPV3L1,
MITOCHONDRIAL
(Homo
sapiens)		3 / 3ARG A 473
ARG A 470
ILE A 351
ANP  A 801 (-3.0A)
ANP  A 801 (-3.0A)
None
0.82A18.68
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.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		4kxb GLUTAMYL
AMINOPEPTIDASE
(Homo
sapiens)		3 / 3ARG A 947
ARG A 943
ILE A 716
None
0.78A16.38
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.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		4o3m BLOOM SYNDROME
PROTEIN
(Homo
sapiens)		3 / 3ARG A 979
ARG A 982
ILE A 935
None
0.57A18.68
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.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		5f7h T-CELL
IMMUNOGLOBULIN AND
MUCIN
DOMAIN-CONTAINING
PROTEIN 4
(Homo
sapiens)		3 / 3ARG B  64
ARG B  58
ILE B  69
None
0.71A18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		5kc8 GLUTAMATE RECEPTOR
IONOTROPIC, DELTA-2
(Homo
sapiens)		3 / 3ARG A 276
ARG A 275
ILE A 278
None
0.79A18.82
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.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A
(Homo
sapiens)		3 / 3ARG A 310
ARG A 312
ILE A 584
FAD  A 901 (-4.2A)
None
None
0.68A16.23
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.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		5v8j CYCLIC GMP-AMP
SYNTHASE
(Homo
sapiens)		3 / 3ARG A 353
ARG A 349
ILE A 386
None
0.61A19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		2iuw ALKYLATED REPAIR
PROTEIN ALKB HOMOLOG
3
(Homo
sapiens)		6 / 11HIS A 191
ASP A 193
HIS A 257
VAL A 259
ARG A 269
SER A 208
 FE  A 500 ( 3.3A)
FE  A 500 ( 2.6A)
FE  A 500 ( 3.3A)
None
AKG  A 700 (-2.9A)
AKG  A 700 ( 4.8A)
1.30A21.02
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.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		3ouh EGL NINE HOMOLOG 1
(Homo
sapiens)		5 / 11HIS A 313
ASP A 315
THR A 325
HIS A 374
VAL A 376
FE2  A 600 ( 3.2A)
FE2  A 600 ( 2.5A)
None
FE2  A 600 ( 3.2A)
014  A 417 (-4.8A)
0.56A22.16
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.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		3oui EGL NINE HOMOLOG 1
(Homo
sapiens)		5 / 11HIS A 313
ASP A 315
THR A 325
HIS A 374
VAL A 376
FE2  A   1 ( 3.3A)
FE2  A   1 ( 2.5A)
None
FE2  A   1 ( 3.2A)
42Z  A 393 (-4.9A)
0.61A19.94
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.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		3uyj LYSINE-SPECIFIC
DEMETHYLASE 8
(Homo
sapiens)		5 / 11HIS A 321
ASP A 323
HIS A 400
VAL A 402
SER A 410
 NI  A 501 ( 3.2A)
NI  A 501 ( 2.4A)
NI  A 501 ( 3.4A)
AKG  A 601 (-4.1A)
AKG  A 601 ( 4.7A)
0.96A22.26
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.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		4nhy 2-OXOGLUTARATE AND
IRON-DEPENDENT
OXYGENASE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		5 / 11HIS A 155
ASP A 157
HIS A 218
VAL A 220
SER A 232
 MN  A 601 (-3.5A)
MN  A 601 ( 2.5A)
MN  A 601 ( 3.4A)
PD2  A 603 (-4.9A)
PD2  A 603 (-3.1A)
0.65A20.21
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.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		4nrq RNA DEMETHYLASE
ALKBH5
(Homo
sapiens)		5 / 11HIS A 204
ASP A 206
HIS A 266
ARG A 277
SER A 219
 MN  A 302 ( 3.6A)
MN  A 302 ( 2.7A)
MN  A 302 ( 3.3A)
PD2  A 301 (-2.7A)
PD2  A 301 ( 4.5A)
1.46A23.15
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.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		5apa ASPARTYL/ASPARAGINYL
BETA-HYDROXYLASE
(Homo
sapiens)		5 / 11HIS A 679
HIS A 725
VAL A 727
ARG A 735
SER A 668
 NI  A1759 ( 3.2A)
NI  A1759 ( 3.3A)
LMR  A1760 ( 4.9A)
LMR  A1760 (-2.9A)
LMR  A1760 (-2.7A)
1.23A21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		5deu METHYLCYTOSINE
DIOXYGENASE TET2,
CHIMERIC CONSTRUCT
(Homo
sapiens)		5 / 11HIS A1382
ASP A1384
ARG A1896
SER A1898
VAL A1900
 FE  A2003 (-3.3A)
FE  A2003 ( 2.4A)
OGA  A2001 (-2.9A)
OGA  A2001 (-2.7A)
OGA  A2001 ( 4.9A)
1.00A21.54
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.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		5deu METHYLCYTOSINE
DIOXYGENASE TET2,
CHIMERIC CONSTRUCT
(Homo
sapiens)		5 / 11HIS A1382
ASP A1384
HIS A1881
SER A1898
VAL A1900
 FE  A2003 (-3.3A)
FE  A2003 ( 2.4A)
FE  A2003 ( 3.2A)
OGA  A2001 (-2.7A)
OGA  A2001 ( 4.9A)
0.79A21.54
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.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		5deu METHYLCYTOSINE
DIOXYGENASE TET2,
CHIMERIC CONSTRUCT
(Homo
sapiens)		5 / 11HIS A1382
THR A1393
HIS A1881
SER A1898
VAL A1900
 FE  A2003 (-3.3A)
CL  A2007 (-4.5A)
FE  A2003 ( 3.2A)
OGA  A2001 (-2.7A)
OGA  A2001 ( 4.9A)
0.74A21.54
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.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		5jz8 ASPARTYL/ASPARAGINYL
BETA-HYDROXYLASE
(Homo
sapiens)		5 / 11HIS A 679
HIS A 725
VAL A 727
ARG A 735
SER A 668
 MN  A 801 ( 3.4A)
MN  A 801 ( 3.4A)
OGA  A 802 ( 4.9A)
OGA  A 802 (-2.2A)
OGA  A 802 (-2.5A)
1.18A20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		5v1b EGL NINE HOMOLOG 2
(Homo
sapiens)		5 / 11HIS A 297
ASP A 299
HIS A 358
VAL A 360
ARG A 367
 FE  A 503 ( 3.6A)
FE  A 503 (-2.7A)
FE  A 503 ( 3.5A)
8UY  A 504 (-4.8A)
8UY  A 504 (-4.1A)
1.23A21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		5v1b EGL NINE HOMOLOG 2
(Homo
sapiens)		5 / 11HIS A 297
ASP A 299
THR A 309
HIS A 358
VAL A 360
 FE  A 503 ( 3.6A)
FE  A 503 (-2.7A)
None
FE  A 503 ( 3.5A)
8UY  A 504 (-4.8A)
0.57A21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		1i9r IMMUNOGLOBULIN H
(Homo
sapiens)		4 / 6LEU H 194
GLY H 195
ALA H 130
PRO H 131
None
0.31A23.57
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		1rzf FAB E51 HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.37A22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		1rzg FAB 412D LIGHT CHAIN
(Homo
sapiens)		4 / 6LEU A 189
GLY A 190
ALA A 125
PRO A 126
None
0.43A21.45
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		1t04 HUZAF ANTIBODY HEAVY
CHAIN
(Homo
sapiens)		4 / 6LEU B 193
GLY B 194
ALA B 129
PRO B 130
None
0.51A24.91
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		1uwe ANTIBODY 14D9
(Homo
sapiens;
Mus
musculus)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.51A20.22
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		2b1h FAB 2219, HEAVY
CHAIN
(Homo
sapiens)		4 / 6LEU H 198
GLY H 199
ALA H 125
PRO H 126
None
0.35A23.27
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		2b4c ANTI-HIV-1 GP120
IMMUNOGLOBULIN X5
HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.45A22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		2f5a PROTEIN (ANTIBODY
2F5 (HEAVY CHAIN))
(Homo
sapiens)		4 / 6LEU H 208
GLY H 209
ALA H 144
PRO H 145
None
0.47A23.26
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		2gry KINESIN-LIKE PROTEIN
KIF2
(Homo
sapiens)		5 / 6THR A 220
ARG A 178
LEU A 181
GLY A 179
PRO A 222
None
1.49A19.34
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		2r56 IGE FAB FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 197
GLY H 198
ALA H 133
PRO H 134
None
0.45A23.74
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		3d85 FAB OF ANTIBODY
7G10, HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU B 191
GLY B 192
ALA B 127
PRO B 128
None
0.51A23.64
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		3g04 HUMAN THYROID
STIMULATING
AUTOANTIBODY M22
HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU B 189
GLY B 190
ALA B 125
PRO B 126
None
0.41A23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		3hc4 IMMUNOGLOBULIN IGG1
FAB, HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 192
GLY H 193
ALA H 128
PRO H 129
None
0.46A22.22
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		3l7f H2L6 HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 197
GLY H 198
ALA H 133
PRO H 134
None
0.50A21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		3mnz ANTI-HIV-1 ANTIBODY
13H11 HEAVY CHAIN
(Homo
sapiens;
Mus
musculus)		4 / 6LEU B 198
GLY B 199
ALA B 125
PRO B 126
None
0.44A23.19
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		3mxw 5E1 HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.49A22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		3ntc FAB HEAVY CHAIN
(Homo
sapiens;
Mus
musculus)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.53A23.72
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		3nzh 5F6 HEAVY CHAIN
(Homo
sapiens;
Mus
musculus)		4 / 6LEU H 193
GLY H 194
ALA H 129
PRO H 130
None
0.41A21.94
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		3qcv LT3015 ANTIBODY FAB
FRAGMENT, HEAVY
CHAIN
(Homo
sapiens)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.52A23.74
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		3qeh FAB FRAGMENT OF
HUMAN ANTI-HIV-1 ENV
ANTIBODY N12-I15,
HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU A 189
GLY A 190
ALA A 125
PRO A 126
None
0.46A23.59
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		3qpx FAB C2507 HEAVY
CHAIN
(Homo
sapiens;
Rattus
norvegicus)		4 / 6LEU H 195
GLY H 196
ALA H 131
PRO H 132
None
0.53A21.55
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		3tcl CH04 HEAVY CHAIN FAB
(Homo
sapiens)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.49A21.94
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		3tje FAB E09, HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 208
GLY H 209
ALA H 144
PRO H 145
None
0.51A21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		3u1s FAB PGT145 HEAVY
CHAIN
(Homo
sapiens)		4 / 6LEU H 194
GLY H 195
ALA H 130
PRO H 131
None
0.49A20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4fql MONOCLONAL ANTIBODY
CR8033 HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.47A20.43
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4hfw 6-26 FAB HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 196
GLY H 197
ALA H 132
PRO H 133
None
0.34A21.45
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4hwe FAB HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 195
GLY H 196
ALA H 131
PRO H 132
None
0.48A21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4i3r HEAVY CHAIN OF
VRC-PG04 FAB
(Homo
sapiens)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.51A21.69
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4jy4 PGT121 HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU B 187
GLY B 188
ALA B 123
PRO B 124
None
0.50A22.34
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4l87 SERINE--TRNA LIGASE,
CYTOPLASMIC
(Homo
sapiens)		5 / 6THR A 347
ARG A 218
LEU A 215
GLY A 216
ALA A 348
None
1.37A19.22
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4lly MUTATED PERTUZUMAB
FAB HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU A 195
GLY A 196
ALA A 131
PRO A 132
None
0.39A20.22
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4lri MSL-109 HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU P 206
GLY P 207
ALA P 142
PRO P 143
None
0.46A24.22
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4m5y FAB 5J8 HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.44A19.70
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4mxv ANTI-LYMPHOTOXIN
ALPHA ANTIBODY HEAVY
CHAIN
(Homo
sapiens)		4 / 6LEU F 189
GLY F 190
ALA F 125
PRO F 126
None
0.41A25.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4oaw HEAVY CHAIN OF FAB
FRAGMENT OF
ANTI-HIV1 GP120 V2
MAB 2158
(Homo
sapiens)		4 / 6LEU B 206
GLY B 207
ALA B 142
PRO B 143
None
0.47A22.54
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4ocw CAP256-VRC26.06
HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.48A20.62
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4r4f ANTIBODY 2.2C HEAVY
CHAIN
(Homo
sapiens)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.43A23.55
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4rnr PGT130 HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU A 189
GLY A 190
ALA A 125
PRO A 126
None
0.50A23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4rqq HUMAN ANTI-HIV-1
ANTIBODY PGDM1400
HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 194
GLY H 195
ALA H 130
PRO H 131
None
0.48A22.34
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4uta BROADLY NEUTRALIZING
HUMAN ANTIBODY EDE1
C8 HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 198
GLY H 199
ALA H 134
PRO H 135
None
0.48A19.87
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4wuu IMMUNOGLOBULIN HEAVY
CHAIN
(Homo
sapiens)		4 / 6LEU E 197
GLY E 198
ALA E 133
PRO E 134
None
0.43A23.22
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4xvs VRC07_1995
45-VRC01.H01+07.O-86
3513/45-VRC01.L01+07
.O-110653 HEAVY
CHAIN
(Homo
sapiens)		4 / 6LEU H 201
GLY H 202
ALA H 137
PRO H 138
None
0.45A22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4ydv HIV ANTIBODY 7B2
HEAVY CHAIN,IGG H
CHAIN
(Homo
sapiens)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.53A20.58
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5alc ANTI-TICAGRELOR FAB
72, HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.39A21.51
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5cd3 DRVIA7 HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU G 188
GLY G 189
ALA G 124
PRO G 125
None
0.52A21.45
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5chn ANTIBODY 5M16 FAB
HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 198
GLY H 199
ALA H 134
PRO H 135
None
0.44A23.91
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5esv CH03 HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU A 189
GLY A 190
ALA A 125
PRO A 126
None
0.52A22.49
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5f96 HEAVY CHAIN OF
ANTIBODY CH235.12
(Homo
sapiens)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.52A20.96
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5f9o CH235.9 HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 198
GLY H 199
ALA H 134
PRO H 135
None
0.53A20.43
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5ies VRC01CHUGL2 FAB
HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.52A21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5jxa VRC03 HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.53A21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5kw9 IGA(VH)-IGG(CH)
HEAVY CHAIN FAB
FRAGMENT
(Homo
sapiens)		4 / 6LEU H 200
GLY H 201
ALA H 136
PRO H 137
None
0.50A24.19
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5ob5 FAB HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H 195
GLY H 196
ALA H 131
PRO H 132
None
0.53A21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5trp DH272 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 6LEU H 198
GLY H 199
ALA H 134
PRO H 135
None
0.48A21.50
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5u3n DH511.12P FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.44A22.22
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5uem 354NC37 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 6LEU H 189
GLY H 190
ALA H 125
PRO H 126
None
0.45Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA303_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		1pk6 COMPLEMENT C1Q
SUBCOMPONENT, A
CHAIN PRECURSOR
COMPLEMENT C1Q
SUBCOMPONENT, C
CHAIN PRECURSOR
(Homo
sapiens;
Homo
sapiens)		4 / 4GLN A 177
GLN C 173
GLY C 166
HIS C 167
 CA  B   1 (-3.2A)
CA  B   1 ( 4.7A)
None
None
1.39A17.81
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.
3HUO_A_PNNA303_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		1r4n AMYLOID BETA
PRECURSOR
PROTEIN-BINDING
PROTEIN 1
(Homo
sapiens)		4 / 4GLN A  16
GLN A  25
GLY A  21
HIS A  23
None
1.47A19.21
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.
3HUO_A_PNNA303_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5hkj COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
A,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
C,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
B
(Homo
sapiens)		4 / 4GLN A  90
GLN A 226
GLY A 219
HIS A 220
 CA  A 502 (-3.0A)
CA  A 502 ( 4.7A)
None
None
1.31A20.29
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.
3HUO_A_PNNA303_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5vni PROTEIN TRANSPORT
PROTEIN SEC24A
(Homo
sapiens)		4 / 4GLN B 929
GLN B 933
GLY B 784
HIS B 412
None
1.20A16.62
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.
3HUO_A_PNNA304_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		1ytq BETA CRYSTALLIN B2
(Homo
sapiens)		4 / 4GLN A 182
PRO A 181
VAL A 140
GLU A 112
None
1.18A19.70
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.
3HUO_A_PNNA304_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		2nbr GAMMA-CRYSTALLIN C
(Homo
sapiens)		4 / 4GLN A 148
PRO A 147
VAL A 125
GLU A 127
None
1.47A18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA304_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		2ziu MUS81 PROTEIN
CROSSOVER JUNCTION
ENDONUCLEASE EME1
(Danio
rerio;
Homo
sapiens)		4 / 4GLN B 561
PRO B 562
VAL A 532
GLU A 534
None
0.92A22.00
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.
3HUO_A_PNNA304_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		3kt9 APRATAXIN
(Homo
sapiens)		4 / 4GLN A  85
PRO A  83
VAL A  98
GLU A  99
None
1.43A15.15
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.
3HUO_A_PNNA304_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		3lyr TRANSCRIPTION FACTOR
COE1
(Homo
sapiens)		4 / 4GLN A  80
PRO A  81
VAL A  82
GLU A  83
None
1.13A22.22
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.
3HUO_A_PNNA304_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		3wzf ASPARTATE
AMINOTRANSFERASE,
CYTOPLASMIC
(Homo
sapiens)		4 / 4GLN A  11
PRO A  10
VAL A   9
GLU A   8
None
1.36A20.82
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.
3HUO_A_PNNA304_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4hk0 UCA LIGHT CHAIN
(Homo
sapiens)		4 / 4GLN B  16
PRO B  14
VAL B  77
GLU B  78
None
1.11A21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA304_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4qgk FATTY ALDEHYDE
DEHYDROGENASE
(Homo
sapiens)		4 / 4GLN A  98
PRO A  99
VAL A  79
GLU A  77
None
1.40A21.02
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.
3HUO_A_PNNA304_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5hzw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN
(Escherichia
coli;
Homo
sapiens)		4 / 4GLN A 448
PRO A 718
VAL A 623
GLU A 716
None
1.41A19.04
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.
3HUO_A_PNNA304_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5nge UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7
(Homo
sapiens)		4 / 4GLN A 261
PRO A 257
VAL A 307
GLU A 308
None
1.44A21.41
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.
3HUO_A_PNNA304_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5t3p PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7
(Homo
sapiens)		4 / 4GLN A 136
PRO A 137
VAL A  98
GLU A 141
None
1.35A21.56
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.
3HUO_A_PNNA304_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5t4m PROTOCADHERIN-15
(Homo
sapiens)		4 / 4GLN A 446
PRO A 447
VAL A 448
GLU A 385
None
None
None
CA  A 704 ( 2.8A)
1.00A23.34
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.
3HUO_A_PNNA304_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5te6 HEAVY CHAIN OF N6
(Homo
sapiens)		4 / 4GLN H  53
PRO H  52
VAL H  73
GLU H  76
None
1.19A21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA304_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5vni PROTEIN TRANSPORT
PROTEIN SEC24A
(Homo
sapiens)		4 / 4GLN B 933
PRO B 934
VAL B 936
GLU B 384
None
1.34A16.62
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		3ldo 78 KDA
GLUCOSE-REGULATED
PROTEIN
(Homo
sapiens)		5 / 12GLY A 363
GLY A 364
GLY A 255
ASP A 257
ARG A 297
ANP  A 408 (-3.2A)
ANP  A 408 (-3.1A)
ANP  A 408 (-3.4A)
None
None
0.98A22.86
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		4igg CATENIN ALPHA-1
(Homo
sapiens)		5 / 12GLY A 805
ASN A 284
GLY A 804
GLY A 272
ASP A 200
None
1.03A17.68
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5fpn HEAT SHOCK-RELATED
70 KDA PROTEIN 2
(Homo
sapiens)		5 / 12GLY A 340
GLY A 341
GLY A 232
ASP A 234
ARG A 274
None
KYD  A1386 (-3.7A)
None
None
None
0.95A18.91
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5tte E3 UBIQUITIN-PROTEIN
LIGASE ARIH1
(Homo
sapiens)		5 / 12CYH B 357
GLY B 356
ASN B 423
ASN B 358
GLY B 355
None
1.00A16.99
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		5udh E3 UBIQUITIN-PROTEIN
LIGASE ARIH1
(Homo
sapiens)		5 / 12CYH A 357
GLY A 356
ASN A 423
ASN A 358
GLY A 355
None
1.00A19.27
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.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens)		4 / 8GLN A 100
SER A  49
ARG A  46
ASN A 239
None
None
None
NDP  A 302 ( 4.2A)
1.03A17.82
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.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		1fch PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR
(Homo
sapiens)		4 / 8ASN A 378
THR A 377
LEU A 463
ASN A 524
None
1.16A17.03
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.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		1i49 ARFAPTIN 2
(Homo
sapiens)		4 / 8ASN A  89
THR A  92
LEU A  96
GLN A  65
None
1.02A23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		2c0l PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR
(Homo
sapiens)		4 / 8ASN A 415
THR A 414
LEU A 500
ASN A 561
None
1.13A16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		2i7p PANTOTHENATE KINASE
3
(Homo
sapiens)		4 / 8ASN A 322
LEU A 235
SER A 330
ASN A 189
ACO  A1604 (-4.2A)
None
None
ACO  A1604 ( 4.9A)
1.16A17.24
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.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		3of6 PRE T-CELL ANTIGEN
RECEPTOR ALPHA
(Homo
sapiens)		4 / 8ASN D  72
THR D  71
LEU D  34
SER D  12
None
1.14A21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		4c41 CORTICOSTEROID-BINDI
NG GLOBULIN
(Homo
sapiens)		4 / 8THR A 338
LEU A 329
HIS A 325
ASN A 177
None
1.15A17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		4dcn ARFAPTIN-2
(Homo
sapiens)		4 / 8ASN C 185
THR C 188
LEU C 192
GLN C 161
None
1.11A24.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		5gtj DUAL SPECIFICITY
PROTEIN PHOSPHATASE
26
(Homo
sapiens)		4 / 8SER A 159
HIS A 151
ARG A 158
ASN A  78
PO4  A 301 ( 4.1A)
None
PO4  A 301 (-4.0A)
None
1.12A20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		5knm CDNA FLJ39643 FIS,
CLONE SMINT2004023,
HIGHLY SIMILAR TO
HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, ALPHACHAIN
F
(Homo
sapiens)		4 / 8ASN A  70
THR A  73
HIS A 116
ASN A  99
None
1.11A20.07
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.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		5wu6 SPECKLE TARGETED
PIP5K1A-REGULATED
POLY(A) POLYMERASE
(Homo
sapiens)		4 / 8LEU A 547
GLN A 542
SER A 513
ARG A 515
None
1.07A15.27
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.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		6ez8 HUNTINGTIN
(Homo
sapiens)		4 / 8THR A2062
LEU A2020
SER A2023
ASN A2033
None
1.02Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)
(Homo
sapiens)		4 / 8ASN A 902
THR A 905
LEU A 909
ARG A 542
None
0.92Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		1xr0 FGFR SIGNALLING
ADAPTOR SNT-1
(Homo
sapiens)		4 / 5ASN B  70
ALA B  94
ALA B  92
ARG B  93
None
1.40A23.81
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.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		3lof HEAT SHOCK 70 KDA
PROTEIN 1
(Homo
sapiens)		4 / 5ASN A 530
ALA A 532
ALA A 533
LYS A 539
None
1.41A18.42
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.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		3rcp PLECKSTRIN HOMOLOGY
DOMAIN-CONTAINING
FAMILY A MEMBER 3
(Homo
sapiens)		4 / 5ASN A  77
ALA A  79
ALA A  78
ARG A  81
None
1.26A21.38
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.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		3rmu METHYLMALONYL-COA
EPIMERASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 5ASN A 129
ALA A 132
ALA A 133
LYS A 140
None
None
EDO  A 177 ( 3.9A)
EDO  A   2 ( 4.1A)
1.03A22.29
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.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		4m7f FIBRINOGEN C
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		4 / 5ASN A 400
ALA A 402
ALA A 403
ARG A 406
None
0.76A21.21
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.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		4xrs HOMEOBOX PROTEIN
DLX-3
(Homo
sapiens)		4 / 5ALA G 142
ALA G 143
ARG G 146
LYS G 150
None
1.36A14.29
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.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		5w8f MODIFIED BIM BH3
PEPTIDE SAH-MS1-14
(Homo
sapiens)		4 / 5ASN B  15
ALA B  19
ALA B  16
ARG B  20
None
1.35Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		6fcx METHYLENETETRAHYDROF
OLATE REDUCTASE
(Homo
sapiens)		4 / 5ASN A 290
ALA A 293
ALA A 292
ARG A 295
None
None
None
CIT  A 703 (-3.1A)
1.16Aundetectable