SIMILAR PATTERNS OF AMINO ACIDS FOR 2OKC_B_SAMB500

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ayy GLYCOSYLASPARAGINASE

(Elizabethkingia
meningoseptica) 		PF01112
(Asparaginase_2) 		5 ILE B 153
ALA B 157
GLY B 166
GLY B 154
VAL B 193
 None
 1.18A 2okcB-1ayyB:
undetectable		 2okcB-1ayyB:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bw0 PROTEIN (TYROSINE
AMINOTRANSFERASE)

(Trypanosoma
cruzi) 		PF00155
(Aminotran_1_2) 		5 ILE A 218
ALA A 120
GLY A 113
VAL A 144
PHE A 277
 LLP  A 253 ( 3.9A)
None
LLP  A 253 ( 3.6A)
None
None
 1.17A 2okcB-1bw0A:
3.1		 2okcB-1bw0A:
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.
1czk FLAVODOXIN

(Synechococcus
elongatus) 		PF00258
(Flavodoxin_1) 		5 ILE A  17
ALA A  84
GLY A 140
GLY A  87
PHE A 167
 None
 1.15A 2okcB-1czkA:
undetectable		 2okcB-1czkA:
17.83
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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 ILE A 553
GLY A 161
GLY A 135
ASN A 163
PRO A 338
 FAD  A 600 (-3.7A)
None
FAD  A 600 (-4.1A)
FAD  A 600 (-3.6A)
None
 1.18A 2okcB-1d4eA:
2.1		 2okcB-1d4eA:
22.00
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.
1eov ASPARTYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ALA A 523
GLY A 482
GLY A 526
ASN A 468
PHE A 347
 None
 1.10A 2okcB-1eovA:
undetectable		 2okcB-1eovA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1euf DUODENASE

(Bos taurus) 		PF00089
(Trypsin) 		5 TYR A 215
ILE A  16
ALA A 183
ASN A 189
PRO A 225
 None
 1.16A 2okcB-1eufA:
undetectable		 2okcB-1eufA:
16.67
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.
1f89 32.5 KDA PROTEIN
YLR351C

(Saccharomyces
cerevisiae) 		PF00795
(CN_hydrolase) 		5 ILE A 157
ALA A  87
ASN A  85
VAL A  80
ASN A 117
 None
 1.18A 2okcB-1f89A:
undetectable		 2okcB-1f89A:
19.91
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.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		5 ILE A 115
GLY A 227
GLY A 198
ASN A 399
PHE A 290
 None
None
None
None
EMM  A1999 (-4.1A)
 1.14A 2okcB-1gqrA:
2.2		 2okcB-1gqrA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ks8 ENDO-B-1,4-GLUCANASE

(Nasutitermes
takasagoensis) 		PF00759
(Glyco_hydro_9) 		5 ILE A 164
ALA A 219
VAL A 260
ARG A 192
PHE A 185
 None
 1.17A 2okcB-1ks8A:
undetectable		 2okcB-1ks8A:
23.49
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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		5 ILE A 368
ALA A 476
GLY A 373
VAL A 471
PHE A 550
 None
 1.19A 2okcB-1lnsA:
undetectable		 2okcB-1lnsA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 182
ALA A 189
GLY A 187
GLY A 183
VAL A 197
 NAD  A 460 (-3.6A)
None
None
None
None
 1.16A 2okcB-1lvlA:
undetectable		 2okcB-1lvlA:
20.98
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.
1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Homo sapiens) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		5 ILE A 444
ALA A 551
GLY A 459
GLY A 443
ARG A 545
 None
 1.17A 2okcB-1pl0A:
undetectable		 2okcB-1pl0A:
22.24
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.
1qlm METHENYLTETRAHYDROME
THANOPTERIN
CYCLOHYDROLASE

(Methanopyrus
kandleri) 		PF02289
(MCH) 		5 ILE A 268
ALA A 257
GLY A 282
VAL A 195
PRO A 254
 None
 1.04A 2okcB-1qlmA:
undetectable		 2okcB-1qlmA:
22.06
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.
1wcg THIOGLUCOSIDASE

(Brevicoryne
brassicae) 		PF00232
(Glyco_hydro_1) 		5 ILE A  45
ALA A  54
GLY A 427
SER A  57
ASN A  50
 None
 1.17A 2okcB-1wcgA:
undetectable		 2okcB-1wcgA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wd3 ALPHA-L-ARABINOFURAN
OSIDASE B

(Aspergillus
kawachii) 		PF05270
(AbfB)
PF09206
(ArabFuran-catal) 		5 ILE A 239
ALA A 165
GLY A 259
VAL A 324
PHE A 306
 None
 1.15A 2okcB-1wd3A:
undetectable		 2okcB-1wd3A:
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.
1wu7 HISTIDYL-TRNA
SYNTHETASE

(Thermoplasma
acidophilum) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 ILE A 317
ALA A 127
GLY A 311
GLY A 313
PHE A  39
 None
 1.16A 2okcB-1wu7A:
undetectable		 2okcB-1wu7A:
22.33
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.
1x1n 4-ALPHA-GLUCANOTRANS
FERASE

(Solanum
tuberosum) 		PF02446
(Glyco_hydro_77) 		5 ILE A 373
ALA A 386
GLY A 388
ASN A 364
VAL A 414
 None
 1.16A 2okcB-1x1nA:
undetectable		 2okcB-1x1nA:
22.79
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.
2bx7 DIHYDROOROTATE
DEHYDROGENASE

(Lactococcus
lactis) 		PF01180
(DHO_dh) 		5 ILE A 224
ALA A 273
GLY A 271
GLY A 220
VAL A  21
 FMN  A1312 ( 4.9A)
None
FMN  A1312 (-3.4A)
FMN  A1312 ( 3.8A)
None
 1.18A 2okcB-2bx7A:
undetectable		 2okcB-2bx7A:
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		5 TYR A 288
ALA A 331
GLY A 289
GLY A 299
SER A 159
 None
 1.13A 2okcB-2cn3A:
undetectable		 2okcB-2cn3A:
21.14
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.
2czq CUTINASE-LIKE
PROTEIN

(Cryptococcus
sp. S-2) 		PF01083
(Cutinase) 		5 TYR A  84
ALA A  89
GLY A  83
SER A  56
PRO A 117
 EDO  A 602 (-4.2A)
None
None
None
None
 1.18A 2okcB-2czqA:
2.6		 2okcB-2czqA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dua PHOSPHONOPYRUVATE
HYDROLASE

(Variovorax sp.
Pal2) 		PF13714
(PEP_mutase) 		5 ALA A 174
GLY A 172
GLY A 204
VAL A 156
ARG A 130
 None
 0.97A 2okcB-2duaA:
undetectable		 2okcB-2duaA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ghb MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13416
(SBP_bac_8) 		5 ALA A 259
GLY A 166
GLY A 194
ASN A 329
SER A 326
 None
 1.10A 2okcB-2ghbA:
undetectable		 2okcB-2ghbA:
22.01
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.
2huf ALANINE GLYOXYLATE
AMINOTRANSFERASE

(Aedes aegypti) 		PF00266
(Aminotran_5) 		5 ILE A  57
GLY A 203
VAL A 182
SER A  28
PRO A 212
 None
None
LLP  A 206 ( 4.1A)
LLP  A 206 ( 2.6A)
None
 1.06A 2okcB-2hufA:
3.2		 2okcB-2hufA:
22.64
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.
2ie8 PHOSPHOGLYCERATE
KINASE

(Thermus
caldophilus) 		PF00162
(PGK) 		5 ILE A 292
ALA A 334
GLY A 332
GLY A 327
VAL A 354
 None
 1.15A 2okcB-2ie8A:
undetectable		 2okcB-2ie8A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iv0 ISOCITRATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00180
(Iso_dh) 		5 ILE A 311
ALA A 349
GLY A 315
GLY A 312
PRO A 331
 None
 1.14A 2okcB-2iv0A:
undetectable		 2okcB-2iv0A:
21.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2okc TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		6 TYR A 152
ALA A 178
GLY A 182
ASN A 259
PRO A 261
PHE A 288
 SAM  A 500 (-4.7A)
SAM  A 500 (-3.4A)
SAM  A 500 ( 4.5A)
SAM  A 500 (-3.9A)
SAM  A 500 (-4.1A)
SAM  A 500 (-4.8A)
 0.95A 2okcB-2okcA:
62.3		 2okcB-2okcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2okc TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		12 TYR A 152
ILE A 159
ALA A 178
GLY A 180
GLY A 183
ASN A 215
VAL A 219
SER A 244
ASN A 259
PRO A 261
ARG A 265
PHE A 288
 SAM  A 500 (-4.7A)
None
SAM  A 500 (-3.4A)
SAM  A 500 (-3.2A)
SAM  A 500 (-3.2A)
SAM  A 500 (-3.2A)
None
SAM  A 500 (-3.8A)
SAM  A 500 (-3.9A)
SAM  A 500 (-4.1A)
SAM  A 500 ( 4.6A)
SAM  A 500 (-4.8A)
 0.16A 2okcB-2okcA:
62.3		 2okcB-2okcA:
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.
2p9w MAL S 1 ALLERGENIC
PROTEIN

(Malassezia
sympodialis) 		no annotation 5 ALA A 182
GLY A 225
VAL A 162
PRO A 158
PHE A 150
 None
 1.16A 2okcB-2p9wA:
undetectable		 2okcB-2p9wA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pnw MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE

(Agrobacterium
fabrum) 		PF03562
(MltA)
PF06725
(3D) 		5 ILE A 291
ALA A 286
GLY A 333
GLY A 329
VAL A  96
 None
 1.03A 2okcB-2pnwA:
undetectable		 2okcB-2pnwA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qe8 UNCHARACTERIZED
PROTEIN

(Trichormus
variabilis) 		PF03022
(MRJP) 		5 ILE A 240
ALA A 145
GLY A 162
GLY A 165
SER A 119
 None
GOL  A 350 ( 4.9A)
None
None
None
 1.19A 2okcB-2qe8A:
undetectable		 2okcB-2qe8A:
23.41
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.
2xw7 DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		PF01872
(RibD_C) 		5 TYR A  55
ILE A  15
GLY A  51
GLY A 114
VAL A  72
 None
NDP  A1173 (-4.4A)
NDP  A1173 (-3.4A)
NDP  A1173 (-3.1A)
None
 1.07A 2okcB-2xw7A:
undetectable		 2okcB-2xw7A:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2y7c TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN

(Escherichia
coli) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		6 ILE B 156
ALA B 175
GLY B 177
ASN B 266
PRO B 268
PHE B 292
 None
 0.60A 2okcB-2y7cB:
42.3		 2okcB-2y7cB:
37.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2y7c TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN

(Escherichia
coli) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		6 ILE B 156
ALA B 175
GLY B 177
GLY B 180
ASN B 266
PHE B 292
 None
 0.42A 2okcB-2y7cB:
42.3		 2okcB-2y7cB:
37.96
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.
2yln PUTATIVE ABC
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, AMINO ACID

(Neisseria
gonorrhoeae) 		PF00497
(SBP_bac_3) 		5 TYR A 133
ALA A 250
GLY A 258
VAL A  78
ASN A 252
 None
 1.12A 2okcB-2ylnA:
undetectable		 2okcB-2ylnA:
20.22
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.
2yxd PROBABLE
COBALT-PRECORRIN-6Y
C(15)-METHYLTRANSFER
ASE
[DECARBOXYLATING]

(Methanocaldococcus
jannaschii) 		PF13847
(Methyltransf_31) 		6 ILE A 132
ALA A 129
GLY A 107
VAL A  42
ASN A 136
PHE A 144
 None
 1.24A 2okcB-2yxdA:
12.0		 2okcB-2yxdA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		5 ALA A 252
ASN A 232
VAL A 228
ASN A 168
PRO A 170
 None
 0.92A 2okcB-3a3iA:
undetectable		 2okcB-3a3iA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3afb PUTATIVE CHITINASE

(Pyrococcus
furiosus) 		no annotation 5 ALA A 563
GLY A 561
GLY A 559
VAL A 606
PRO A 555
 None
 1.09A 2okcB-3afbA:
undetectable		 2okcB-3afbA:
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.
3du4 ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		6 ILE A 178
ALA A 223
GLY A 225
VAL A 415
ASN A 144
PHE A 162
 None
KAP  A 451 ( 4.2A)
None
None
None
None
 1.26A 2okcB-3du4A:
undetectable		 2okcB-3du4A:
23.87
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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD
CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis;
Bacillus
anthracis) 		no annotation
no annotation 		5 TYR L 138
ILE L 213
GLY L 135
VAL L 246
SER S 367
 None
 0.69A 2okcB-3g9kL:
undetectable		 2okcB-3g9kL:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h8l NADH OXIDASE

(Acidianus
ambivalens) 		PF07992
(Pyr_redox_2) 		5 TYR A 268
ALA A 174
GLY A 159
SER A 214
PRO A 314
 None
 1.11A 2okcB-3h8lA:
3.0		 2okcB-3h8lA:
24.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hjr EXTRACELLULAR SERINE
PROTEASE

(Aeromonas
sobria) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 GLY A 143
GLY A  95
VAL A  76
ASN A  98
PRO A 108
 None
 1.19A 2okcB-3hjrA:
undetectable		 2okcB-3hjrA:
21.04
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.
3ius UNCHARACTERIZED
CONSERVED PROTEIN

(Ruegeria
pomeroyi) 		no annotation 5 TYR A 270
ILE A 151
GLY A 150
VAL A 210
PRO A 268
 None
 1.01A 2okcB-3iusA:
3.8		 2okcB-3iusA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khk TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLATION SUBUNIT

(Methanosarcina
mazei) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		6 ALA A 251
GLY A 253
GLY A 256
SER A 318
ASN A 335
PRO A 337
 None
 0.69A 2okcB-3khkA:
29.4		 2okcB-3khkA:
25.35
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.
3khk TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLATION SUBUNIT

(Methanosarcina
mazei) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 ILE A 236
ALA A 251
SER A 318
ASN A 335
PRO A 337
 None
 1.20A 2okcB-3khkA:
29.4		 2okcB-3khkA:
25.35
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.
3khk TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLATION SUBUNIT

(Methanosarcina
mazei) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		6 TYR A 226
ALA A 251
GLY A 253
GLY A 256
SER A 318
ASN A 335
 None
 0.73A 2okcB-3khkA:
29.4		 2okcB-3khkA:
25.35
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.
3khz PUTATIVE DIPEPTIDASE
SACOL1801

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20) 		5 ILE A 121
ALA A 110
GLY A 112
GLY A 118
SER A  96
 None
 1.15A 2okcB-3khzA:
undetectable		 2okcB-3khzA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT

(Acetoanaerobium
sticklandii) 		PF02310
(B12-binding)
PF09043
(Lys-AminoMut_A)
PF16554
(OAM_dimer) 		5 ILE A 432
GLY A 431
VAL A 405
ASN A 188
PRO A 185
 None
 1.05A 2okcB-3koyA:
undetectable		 2okcB-3koyA:
19.69
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.
3mde MEDIUM CHAIN
ACYL-COA
DEHYDROGENASE

(Sus scrofa) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A 371
ALA A 260
GLY A 262
SER A 311
PRO A 257
 FAD  A 399 (-4.9A)
None
None
None
None
 0.96A 2okcB-3mdeA:
undetectable		 2okcB-3mdeA:
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.
3om8 PROBABLE HYDROLASE

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		5 ILE A 232
ALA A 122
GLY A 102
SER A 246
PHE A 254
 None
 1.06A 2okcB-3om8A:
undetectable		 2okcB-3om8A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 ILE B 702
GLY B 751
GLY B 747
VAL B 768
ASN B 704
 None
 1.10A 2okcB-3opyB:
undetectable		 2okcB-3opyB:
19.06
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.
3ptk BETA-GLUCOSIDASE
OS4BGLU12

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 ILE A  55
ALA A  64
GLY A 453
SER A  67
ASN A  60
 None
 1.11A 2okcB-3ptkA:
undetectable		 2okcB-3ptkA:
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.
3pv2 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ILE A  20
GLY A  67
GLY A  69
ASN A 192
PRO A 190
 None
 1.17A 2okcB-3pv2A:
undetectable		 2okcB-3pv2A:
25.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 140
GLY A 138
GLY A 133
VAL A  80
SER A 189
 None
 1.08A 2okcB-3rimA:
2.4		 2okcB-3rimA:
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.
3rwk INULINASE

(Aspergillus
ficuum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ILE X  50
ALA X  75
GLY X 146
ARG X  29
PHE X  34
 None
 1.16A 2okcB-3rwkX:
undetectable		 2okcB-3rwkX:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		5 ALA A 329
GLY A 331
ASN A 406
PRO A 408
PHE A 447
 SAH  A 900 (-3.2A)
SAH  A 900 (-3.2A)
SAH  A 900 (-4.5A)
SAH  A 900 (-4.0A)
None
 0.59A 2okcB-3s1sA:
20.8		 2okcB-3s1sA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		5 ALA A 329
GLY A 333
ASN A 406
PRO A 408
PHE A 447
 SAH  A 900 (-3.2A)
SAH  A 900 ( 4.5A)
SAH  A 900 (-4.5A)
SAH  A 900 (-4.0A)
None
 0.95A 2okcB-3s1sA:
20.8		 2okcB-3s1sA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s5n 4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00701
(DHDPS) 		5 ALA A 243
GLY A 225
VAL A 279
PRO A  40
PHE A  69
 None
 1.15A 2okcB-3s5nA:
undetectable		 2okcB-3s5nA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u24 PUTATIVE LIPOPROTEIN

(Shewanella
oneidensis) 		PF05960
(DUF885) 		5 TYR A 547
ILE A 585
ALA A 455
GLY A 459
VAL A 462
 None
 1.19A 2okcB-3u24A:
undetectable		 2okcB-3u24A:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u5u RAUCAFFRICINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		5 ILE A  62
ALA A  71
GLY A 480
SER A  74
ASN A  67
 None
 1.15A 2okcB-3u5uA:
undetectable		 2okcB-3u5uA:
21.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ufb TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Vibrio
vulnificus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		7 ALA A 225
GLY A 227
GLY A 230
SER A 289
ASN A 309
PRO A 311
PHE A 337
 None
 0.46A 2okcB-3ufbA:
34.1		 2okcB-3ufbA:
31.00
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.
3wyh LYSOZYME G

(Struthio
camelus) 		PF01464
(SLT) 		5 ILE A 144
GLY A 150
GLY A 143
SER A 100
ASN A 148
 None
P6G  A 202 (-3.4A)
None
None
TAM  A 201 ( 3.5A)
 1.15A 2okcB-3wyhA:
undetectable		 2okcB-3wyhA:
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.
3zkb DNA GYRASE SUBUNIT B

(Mycobacterium
tuberculosis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 TYR A  33
ILE A 308
GLY A 124
VAL A 127
PHE A 109
 None
None
ANP  A 601 (-3.3A)
None
None
 1.19A 2okcB-3zkbA:
undetectable		 2okcB-3zkbA:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a27 SYNAPTIC VESICLE
MEMBRANE PROTEIN
VAT-1 HOMOLOG-LIKE

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 ILE A 221
ALA A 196
GLY A 192
GLY A 190
PRO A 351
 None
None
None
EDO  A1390 (-3.4A)
None
 1.18A 2okcB-4a27A:
undetectable		 2okcB-4a27A:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a3s 6-PHOSPHOFRUCTOKINAS
E

(Bacillus
subtilis) 		PF00365
(PFK) 		6 ILE A 130
ALA A 142
GLY A 138
GLY A 124
ASN A 144
ASN A 128
 None
 1.38A 2okcB-4a3sA:
undetectable		 2okcB-4a3sA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 ILE B3304
ALA B3202
VAL B3258
PRO B3290
PHE B3204
 None
 1.15A 2okcB-4bedB:
undetectable		 2okcB-4bedB:
13.55
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.
4hyq PHOSPHOLIPASE A1

(Streptomyces
albidoflavus) 		PF13472
(Lipase_GDSL_2) 		5 GLY A 187
VAL A 231
SER A  13
ASN A 172
PRO A 143
 None
 1.18A 2okcB-4hyqA:
undetectable		 2okcB-4hyqA:
18.71
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.
4i4i 6-PHOSPHOFRUCTOKINAS
E

(Geobacillus
stearothermophilus) 		PF00365
(PFK) 		6 ILE A 130
ALA A 142
GLY A 138
GLY A 124
ASN A 144
ASN A 128
 None
 1.42A 2okcB-4i4iA:
undetectable		 2okcB-4i4iA:
23.61
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.
4jn6 ACETALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		5 ILE B 133
ALA B 185
GLY B 187
GLY B 177
PRO B 146
 None
 1.11A 2okcB-4jn6B:
3.4		 2okcB-4jn6B:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		5 TYR A 254
ALA A 273
GLY A 271
GLY A 267
ARG A 283
 None
 0.94A 2okcB-4lmbA:
2.1		 2okcB-4lmbA:
23.89
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.
4p13 MEDIUM-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A 371
ALA A 260
GLY A 262
SER A 311
PRO A 257
 None
 0.98A 2okcB-4p13A:
undetectable		 2okcB-4p13A:
23.25
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT E

(Vibrio
cholerae;
Vibrio cholerae) 		PF03116
(NQR2_RnfD_RnfE)
PF02508
(Rnf-Nqr) 		5 ILE B 297
ALA B 385
GLY B 365
GLY B 361
SER E 192
 None
 0.84A 2okcB-4p6vB:
undetectable		 2okcB-4p6vB:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		5 ILE A 122
ALA A 183
GLY A 163
GLY A 145
ASN A 161
 None
None
289  A 421 ( 4.3A)
None
None
 1.18A 2okcB-4q1qA:
undetectable		 2okcB-4q1qA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qav 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Neisseria
meningitidis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 233
ALA A 192
GLY A 236
GLY A 234
VAL A  14
 None
 1.10A 2okcB-4qavA:
undetectable		 2okcB-4qavA:
23.25
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.
4r2v CYSTEINE SYNTHETASE

(Helicobacter
pylori) 		PF00291
(PALP) 		5 TYR A 252
ALA A 271
GLY A 269
GLY A 265
ARG A 281
 None
 1.09A 2okcB-4r2vA:
undetectable		 2okcB-4r2vA:
23.16
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.
4rf7 ARGININE KINASE

(Anthopleura
japonica) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 TYR A 475
ILE A 661
ALA A 646
GLY A 703
PRO A 644
 None
 1.16A 2okcB-4rf7A:
undetectable		 2okcB-4rf7A:
22.01
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.
4u4e THIOLASE

(Sphaerobacter
thermophilus) 		PF02803
(Thiolase_C) 		5 ILE A 379
ALA A   9
GLY A   6
GLY A 234
PRO A 229
 None
 1.10A 2okcB-4u4eA:
undetectable		 2okcB-4u4eA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wid RHUL123

(Macacine
betaherpesvirus
3) 		PF07340
(Herpes_IE1) 		5 ILE A 119
ALA A 230
GLY A 233
GLY A 235
PHE A 130
 None
None
None
TRS  A 401 ( 4.7A)
None
 0.89A 2okcB-4widA:
undetectable		 2okcB-4widA:
22.08
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.
4x8r TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Rhodobacter
sphaeroides) 		PF03480
(DctP) 		6 TYR A 308
ILE A 321
ALA A 100
ASN A  94
VAL A 174
PRO A  98
 None
 1.27A 2okcB-4x8rA:
undetectable		 2okcB-4x8rA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		5 TYR A 259
ALA A 306
GLY A 308
VAL A 367
ASN A 246
 None
 1.14A 2okcB-5aexA:
undetectable		 2okcB-5aexA:
21.31
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.
5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE

(Thymus vulgaris) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ALA A 543
ASN A 541
VAL A 206
ASN A 480
ARG A 564
 ALA  A 543 ( 0.0A)
ASN  A 541 (-0.6A)
VAL  A 206 ( 0.6A)
ASN  A 480 ( 0.6A)
ARG  A 564 ( 0.6A)
 1.12A 2okcB-5c05A:
undetectable		 2okcB-5c05A:
22.43
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.
5c3m PUTATIVE
6-PHOSPHO-BETA-GLUCO
SIDASE

(Geobacillus
stearothermophilus) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 GLY A 122
GLY A 118
ASN A 150
ARG A  74
PHE A  88
 None
None
MN  A 501 (-3.4A)
None
None
 1.16A 2okcB-5c3mA:
4.0		 2okcB-5c3mA:
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.
5cbm M17 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF00883
(Peptidase_M17) 		5 ILE A 484
ALA A 428
GLY A 375
GLY A 402
ASN A 352
 None
 0.86A 2okcB-5cbmA:
undetectable		 2okcB-5cbmA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cdo DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B

(Staphylococcus
aureus) 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		5 ILE B 489
ALA B 484
GLY B 486
GLY B 488
ARG B 447
 None
 1.16A 2okcB-5cdoB:
undetectable		 2okcB-5cdoB:
17.26
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.
5cg0 BETA-GLUCOSIDASE

(Spodoptera
frugiperda) 		PF00232
(Glyco_hydro_1) 		5 ILE A  65
ALA A  74
GLY A 455
SER A  77
ASN A  70
 None
 1.15A 2okcB-5cg0A:
undetectable		 2okcB-5cg0A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dte MONOSACCHARIDE-TRANS
PORTING ATPASE

(Actinobacillus
succinogenes) 		PF13407
(Peripla_BP_4) 		5 TYR A 313
ALA A 257
GLY A 264
VAL A 305
PRO A 255
 None
 1.10A 2okcB-5dteA:
undetectable		 2okcB-5dteA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dud YBGK

(Escherichia
coli) 		PF02626
(CT_A_B) 		5 TYR A 209
ALA A 249
GLY A 208
SER A  27
PRO A 231
 None
 1.15A 2okcB-5dudA:
undetectable		 2okcB-5dudA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e27 RESUSCITATION-PROMOT
ING FACTOR RPFB

(Mycobacterium
tuberculosis) 		PF03990
(DUF348)
PF06737
(Transglycosylas)
PF07501
(G5) 		5 ILE A 299
ALA A 331
GLY A 308
VAL A 339
SER A 221
 None
 1.20A 2okcB-5e27A:
undetectable		 2okcB-5e27A:
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.
5flz TUBULIN GAMMA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 TYR C 109
ALA C 190
GLY C 149
GLY C 145
ASN C 186
 None
 1.18A 2okcB-5flzC:
2.5		 2okcB-5flzC:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gr8 LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE PEPR1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 ILE A 383
ALA A 333
GLY A 336
GLY A 360
PRO A 332
 None
 1.12A 2okcB-5gr8A:
undetectable		 2okcB-5gr8A:
20.79
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.
5hr4 MMEI

(Methylophilus
methylotrophus) 		no annotation 5 ILE C 321
ALA C 363
GLY C 365
ASN C 481
PRO C 483
 None
SFG  C1002 (-3.9A)
SFG  C1002 (-3.4A)
SFG  C1002 (-3.8A)
SFG  C1002 (-4.1A)
 0.34A 2okcB-5hr4C:
18.4		 2okcB-5hr4C:
19.47
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.
5l6f FAD LINKED
OXIDASE-LIKE PROTEIN

(Thermothelomyces
thermophila) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ILE A 331
GLY A  92
GLY A 157
PRO A 131
PHE A 223
 None
FAD  A 501 (-3.1A)
None
FAD  A 501 ( 4.9A)
None
 1.20A 2okcB-5l6fA:
undetectable		 2okcB-5l6fA:
21.64
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.
5mjs TUBULIN ALPHA-1
CHAIN

(Schizosaccharomyces
pombe) 		no annotation 5 ALA E 108
GLY E 110
GLY E 150
VAL E 114
ASN E 190
 None
None
GTP  E 500 (-3.2A)
None
None
 1.19A 2okcB-5mjsE:
3.3		 2okcB-5mjsE:
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.
5nnl INACTIVE
DIHYDROOROTASE-LIKE
DOMAIN

(Chaetomium
thermophilum) 		no annotation 5 ILE A1647
ALA A1532
GLY A1737
SER A1552
ARG A1547
 None
 1.04A 2okcB-5nnlA:
undetectable		 2okcB-5nnlA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tf0 GLYCOSYL HYDROLASE
FAMILY 3 N-TERMINAL
DOMAIN PROTEIN

(Bacteroides
intestinalis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ILE A 152
GLY A  80
GLY A 110
PRO A 106
PHE A 363
 None
 1.18A 2okcB-5tf0A:
undetectable		 2okcB-5tf0A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ubm COMPLEMENT C1S
SUBCOMPONENT

(Homo sapiens) 		no annotation 5 ILE A 439
ALA A 619
GLY A 621
GLY A 660
PHE A 636
 None
 1.17A 2okcB-5ubmA:
undetectable		 2okcB-5ubmA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wpk 3-HYDROXY-3-METHYLGL
UTARYL COENZYME A
REDUCTASE

(Streptococcus
pneumoniae) 		no annotation 5 ILE A 265
ALA A 271
GLY A 358
VAL A  63
ASN A 267
 None
None
None
None
HMG  A 500 (-3.8A)
 1.06A 2okcB-5wpkA:
undetectable		 2okcB-5wpkA:
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.
5xyj ACETYL-COA
ACETYLTRANSFERASE

(Saccharomyces
cerevisiae) 		no annotation 5 ILE B  15
ALA B  94
GLY B 357
GLY B 257
VAL B  59
 None
 1.14A 2okcB-5xyjB:
undetectable		 2okcB-5xyjB:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ybb TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Caldanaerobacter
subterraneus) 		no annotation 5 ALA A 197
GLY A 199
ASN A 279
PRO A 281
PHE A 305
 SAM  A 601 (-3.0A)
SAM  A 601 (-3.3A)
SAM  A 601 (-3.7A)
SAM  A 601 ( 4.5A)
SAM  A 601 (-4.7A)
 0.45A 2okcB-5ybbA:
35.5		 2okcB-5ybbA:
30.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 5 ILE A 175
ALA A  72
GLY A 210
VAL A 104
PHE A  38
 None
 1.10A 2okcB-6c62A:
undetectable		 2okcB-6c62A:
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.
6ekv TOXIN COMPLEX
COMPONENT ORF-X2

(Clostridium
botulinum) 		no annotation 5 ILE A 690
ALA A 675
GLY A 668
SER A 706
ASN A 688
 None
 1.14A 2okcB-6ekvA:
2.4		 2okcB-6ekvA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ae1 TROPINONE
REDUCTASE-I

(Datura
stramonium) 		PF13561
(adh_short_C2) 		4 ARG A  53
ASP A 122
THR A 119
ASP A 117
 NAP  A 274 (-3.6A)
None
None
None
 1.28A 2okcB-1ae1A:
5.7		 2okcB-1ae1A:
20.05
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.
1brl BACTERIAL LUCIFERASE

(Vibrio harveyi) 		PF00296
(Bac_luciferase) 		4 THR A 230
ASP A 314
THR A 198
ASP A 316
 None
 1.30A 2okcB-1brlA:
undetectable		 2okcB-1brlA:
22.39
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.
1brw PROTEIN (PYRIMIDINE
NUCLEOSIDE
PHOSPHORYLASE)

(Geobacillus
stearothermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 THR A 202
THR A  84
ASP A  89
THR A  91
 None
 1.19A 2okcB-1brwA:
undetectable		 2okcB-1brwA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eyy ALDEHYDE
DEHYDROGENASE

(Vibrio harveyi) 		PF00171
(Aldedh) 		4 THR A  16
THR A  12
THR A 180
ASP A  71
 None
 1.05A 2okcB-1eyyA:
3.8		 2okcB-1eyyA:
22.01
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.
1gyc LACCASE 2

(Trametes
versicolor) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 THR A 114
ASP A 150
THR A 149
ASP A  18
 None
 1.20A 2okcB-1gycA:
undetectable		 2okcB-1gycA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ibq ASPERGILLOPEPSIN

(Aspergillus
phoenicis) 		PF00026
(Asp) 		4 THR A  96
THR A  90
THR A  18
ASP A  30
 None
 1.28A 2okcB-1ibqA:
undetectable		 2okcB-1ibqA:
20.21
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.
1jpd L-ALA-D/L-GLU
EPIMERASE

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 THR X 118
THR X 121
THR X 172
ASP X 170
 None
 1.00A 2okcB-1jpdX:
undetectable		 2okcB-1jpdX:
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 THR A 416
THR A1002
ASP A 536
THR A 534
 None
 1.19A 2okcB-1kqfA:
undetectable		 2okcB-1kqfA:
17.79
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		4 THR A 266
ASP A 304
THR A 303
ASP A  90
 None
 1.05A 2okcB-1krmA:
undetectable		 2okcB-1krmA:
22.98
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.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		4 THR A  17
THR A  44
ASP A  62
ASP A  90
 SAH  A 801 (-3.7A)
SAH  A 801 (-4.1A)
SAH  A 801 (-2.6A)
SAH  A 801 (-3.8A)
 0.63A 2okcB-1l3iA:
12.8		 2okcB-1l3iA:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n4o L2 BETA-LACTAMASE

(Stenotrophomonas
maltophilia) 		PF13354
(Beta-lactamase2) 		4 THR A 262
ASP A 246
THR A 235
ASP A 218
 None
None
SO4  A1002 (-3.6A)
None
 1.23A 2okcB-1n4oA:
undetectable		 2okcB-1n4oA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nst HEPARAN SULFATE
N-DEACETYLASE/N-SULF
OTRANSFERASE

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		4 THR A 759
ARG A 763
THR A 615
ASP A 708
 None
None
A3P  A 301 (-4.9A)
None
 1.13A 2okcB-1nstA:
undetectable		 2okcB-1nstA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		4 ARG A 333
ASP A 152
THR A 151
ASP A  73
 None
 1.14A 2okcB-1o2dA:
undetectable		 2okcB-1o2dA:
22.39
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.
1r4a ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
1
GOLGI AUTOANTIGEN,
GOLGIN SUBFAMILY A
MEMBER 4

(Rattus
norvegicus;
Homo sapiens) 		PF00025
(Arf)
PF01465
(GRIP) 		4 ARG A  19
THR E2193
THR E2200
ASP E2206
 None
 1.24A 2okcB-1r4aA:
undetectable		 2okcB-1r4aA:
17.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		4 THR A 632
ASP A 609
THR A 592
ASP A 565
 None
 1.28A 2okcB-1sqjA:
undetectable		 2okcB-1sqjA:
20.68
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.
1yb1 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE
TYPE XI

(Homo sapiens) 		PF00106
(adh_short) 		4 THR A  47
THR A  71
ASP A  62
ASP A  88
 None
None
CL  A 402 (-3.6A)
CL  A 405 ( 4.9A)
 1.29A 2okcB-1yb1A:
5.9		 2okcB-1yb1A:
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.
1yga HYPOTHETICAL 37.9
KDA PROTEIN IN
BIO3-HXT17
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim) 		4 THR A 282
THR A 336
ASP A 156
THR A 154
 None
 1.15A 2okcB-1ygaA:
undetectable		 2okcB-1ygaA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		4 THR A  67
ASP A  85
THR A  87
ASP A 142
 SAH  A4001 (-3.5A)
SAH  A4001 (-2.7A)
SAH  A4001 (-3.7A)
SAH  A4001 (-3.7A)
 0.86A 2okcB-2a14A:
9.8		 2okcB-2a14A:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bd0 SEPIAPTERIN
REDUCTASE

(Chlorobaculum
tepidum) 		PF00106
(adh_short) 		4 ARG A  41
ASP A 109
THR A 106
ASP A 104
 NAP  A 800 (-3.4A)
None
None
None
 1.24A 2okcB-2bd0A:
6.0		 2okcB-2bd0A:
21.64
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.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		4 THR A  16
THR A   8
THR A 234
ASP A 236
 None
 1.26A 2okcB-2cbnA:
undetectable		 2okcB-2cbnA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dqb DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE,
PUTATIVE

(Thermus
thermophilus) 		PF01966
(HD)
PF13286
(HD_assoc) 		4 THR A 186
ARG A 279
THR A  40
ASP A  47
 None
 1.11A 2okcB-2dqbA:
undetectable		 2okcB-2dqbA:
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.
2f8l HYPOTHETICAL PROTEIN
LMO1582

(Listeria
monocytogenes) 		PF02384
(N6_Mtase) 		4 THR A  98
THR A 129
ASP A 154
ASP A 180
 SAM  A 400 (-3.8A)
SAM  A 400 (-2.9A)
SAM  A 400 (-2.7A)
SAM  A 400 (-3.4A)
 0.50A 2okcB-2f8lA:
25.2		 2okcB-2f8lA:
24.57
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.
2hzh LACCASE

(Trametes
ochracea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 THR A 114
ASP A 150
THR A 149
ASP A  18
 None
 1.25A 2okcB-2hzhA:
undetectable		 2okcB-2hzhA:
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.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		4 THR A  68
ASP A  86
THR A  88
ASP A 143
 SAH  A4001 (-3.6A)
SAH  A4001 (-2.9A)
SAH  A4001 (-3.8A)
SAH  A4001 (-4.0A)
 0.82A 2okcB-2i62A:
9.4		 2okcB-2i62A:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		4 THR A 164
THR A  68
ASP A  86
THR A  88
 SAH  A4001 (-3.7A)
SAH  A4001 (-3.6A)
SAH  A4001 (-2.9A)
SAH  A4001 (-3.8A)
 1.28A 2okcB-2i62A:
9.4		 2okcB-2i62A:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nn6 EXOSOME COMPLEX
EXONUCLEASE RRP43
EXOSOME COMPONENT 6

(Homo sapiens;
Homo sapiens) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF01138
(RNase_PH) 		4 THR F 200
ARG F  37
THR F  60
ASP C  46
 None
 1.21A 2okcB-2nn6F:
undetectable		 2okcB-2nn6F:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o26 KIT LIGAND
MAST/STEM CELL
GROWTH FACTOR
RECEPTOR

(Mus musculus;
Mus musculus) 		PF02404
(SCF)
no annotation 		4 THR X 277
ASP A  10
THR A   9
ASP A  14
 None
 1.30A 2okcB-2o26X:
undetectable		 2okcB-2o26X:
21.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2okc TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		6 THR A 154
ARG A 156
THR A 181
ASP A 214
THR A 216
ASP A 243
 SAM  A 500 (-3.6A)
SAM  A 500 (-3.1A)
SAM  A 500 (-3.1A)
SAM  A 500 (-2.9A)
SAM  A 500 (-4.0A)
SAM  A 500 (-3.3A)
 0.16A 2okcB-2okcA:
62.3		 2okcB-2okcA:
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.
2v91 STRICTOSIDINE
SYNTHASE

(Rauvolfia
serpentina) 		PF03088
(Str_synth) 		4 THR A 199
ASP A 166
THR A 169
ASP A 172
 None
 1.30A 2okcB-2v91A:
undetectable		 2okcB-2v91A:
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.
2vg9 BIFUNCTIONAL
ENDO-1,4-BETA-XYLANA
SE A

(Neocallimastix
patriciarum) 		PF00457
(Glyco_hydro_11) 		4 THR A 131
ASP A 133
THR A 173
ASP A  76
 None
 1.18A 2okcB-2vg9A:
undetectable		 2okcB-2vg9A:
18.92
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.
2xts SULFITE
DEHYDROGENASE
CYTOCHROME

(Paracoccus
pantotrophus;
Paracoccus
pantotrophus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer)
PF13442
(Cytochrome_CBB3) 		4 THR A 287
THR A 299
ASP B 174
THR B 178
 None
CO  A1431 (-3.2A)
None
None
 1.11A 2okcB-2xtsA:
undetectable		 2okcB-2xtsA:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 THR A 931
ASP A 929
THR A 897
ASP A 839
 None
 1.11A 2okcB-2xvgA:
undetectable		 2okcB-2xvgA:
20.12
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.
3cyv UROPORPHYRINOGEN
DECARBOXYLASE

(Shigella
flexneri) 		PF01208
(URO-D) 		4 THR A 249
ASP A 270
THR A 272
ASP A 293
 None
 0.99A 2okcB-3cyvA:
undetectable		 2okcB-3cyvA:
22.08
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.
3e1s EXODEOXYRIBONUCLEASE
V, SUBUNIT RECD

(Deinococcus
radiodurans) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30)
PF14490
(HHH_4) 		4 THR A 224
ARG A 275
THR A 196
ASP A 207
 None
 1.28A 2okcB-3e1sA:
2.0		 2okcB-3e1sA:
23.21
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.
3h5q PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Staphylococcus
aureus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 THR A 202
THR A  84
ASP A  89
THR A  91
 None
 1.25A 2okcB-3h5qA:
undetectable		 2okcB-3h5qA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iah SHORT CHAIN
DEHYDROGENASE YCIK

(Salmonella
enterica) 		PF00106
(adh_short) 		4 THR A  68
ASP A  70
THR A  73
ASP A 119
 None
NAP  A 254 (-3.7A)
None
None
 1.28A 2okcB-3iahA:
5.2		 2okcB-3iahA:
18.79
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		4 THR W 435
ARG W 480
THR W1015
ASP W 945
 None
 1.27A 2okcB-3iylW:
8.9		 2okcB-3iylW:
15.68
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.
3ks7 PUTATIVE PUTATIVE
PNGASE F

(Bacteroides
fragilis) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		4 ARG A 174
ASP A  96
THR A 213
ASP A 210
 None
CL  A  12 ( 4.7A)
CL  A  12 ( 4.6A)
None
 1.29A 2okcB-3ks7A:
undetectable		 2okcB-3ks7A:
21.93
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.
3ksd GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1

(Staphylococcus
aureus) 		no annotation 4 THR Q 297
ASP Q 293
THR Q 274
ASP Q 282
 None
 1.24A 2okcB-3ksdQ:
2.8		 2okcB-3ksdQ:
22.78
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.
3l4e UNCHARACTERIZED
PEPTIDASE LMO0363

(Listeria
monocytogenes) 		PF03575
(Peptidase_S51) 		4 THR A 170
THR A 134
ASP A 136
THR A  89
 None
None
SO4  A 207 ( 4.8A)
None
 1.11A 2okcB-3l4eA:
undetectable		 2okcB-3l4eA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 THR A 812
ARG A 160
ASP A 236
ASP A 284
 None
 1.29A 2okcB-3ogrA:
undetectable		 2okcB-3ogrA:
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE
NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii;
Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro)
PF00148
(Oxidored_nitro) 		4 THR A 406
ARG B 217
THR A 353
ASP A 362
 None
 1.28A 2okcB-3pdiA:
undetectable		 2okcB-3pdiA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r9j SEPTUM
SITE-DETERMINING
PROTEIN MIND

(Escherichia
coli) 		PF01656
(CbiA) 		4 THR A   8
ASP A 120
THR A  17
ASP A  47
 None
None
ADP  A 261 (-3.5A)
None
 1.07A 2okcB-3r9jA:
undetectable		 2okcB-3r9jA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rhd LACTALDEHYDE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00171
(Aldedh) 		4 THR A 157
ARG A  58
ASP A 114
THR A 126
 None
 1.19A 2okcB-3rhdA:
2.0		 2okcB-3rhdA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		4 THR A  56
ASP A  54
THR A  51
ASP A 117
 None
 1.29A 2okcB-3te7A:
undetectable		 2okcB-3te7A:
19.24
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.
3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00581
(Rhodanese)
PF00753
(Lactamase_B) 		4 THR A  23
ASP A 131
THR A 134
ASP A 137
 None
 1.23A 2okcB-3tp9A:
undetectable		 2okcB-3tp9A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u4y UNCHARACTERIZED
PROTEIN

(Desulfotomaculum
acetoxidans) 		PF10282
(Lactonase) 		4 THR A  54
THR A  42
THR A  45
ASP A  91
 None
 1.10A 2okcB-3u4yA:
undetectable		 2okcB-3u4yA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x0v L-LYSINE OXIDASE

(Trichoderma
viride) 		PF01593
(Amino_oxidase) 		4 THR A 376
ASP A 374
THR A 199
ASP A 344
 None
 1.22A 2okcB-3x0vA:
undetectable		 2okcB-3x0vA:
22.78
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.
3zk4 DIPHOSPHONUCLEOTIDE
PHOSPHATASE 1

(Lupinus luteus) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		4 THR A 373
ARG A 382
THR A 220
ASP A 173
 None
 1.29A 2okcB-3zk4A:
undetectable		 2okcB-3zk4A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ci8 ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 1

(Homo sapiens) 		PF00400
(WD40)
PF03451
(HELP) 		4 THR A 676
THR A 724
ASP A 679
THR A 720
 None
 1.29A 2okcB-4ci8A:
undetectable		 2okcB-4ci8A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cns DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 THR A 280
THR A 355
THR A  85
ASP A  88
 None
 1.22A 2okcB-4cnsA:
undetectable		 2okcB-4cnsA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4exq UROPORPHYRINOGEN
DECARBOXYLASE

(Burkholderia
thailandensis) 		PF01208
(URO-D) 		4 THR A 255
ASP A 276
THR A 278
ASP A 299
 None
 1.17A 2okcB-4exqA:
undetectable		 2okcB-4exqA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g9i HYDROGENASE
MATURATION PROTEIN
HYPF

(Thermococcus
kodakarensis) 		PF00708
(Acylphosphatase)
PF00814
(Peptidase_M22)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 ARG A 245
THR A 328
ASP A 368
ASP A 105
 None
 1.22A 2okcB-4g9iA:
undetectable		 2okcB-4g9iA:
19.56
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.
4h14 SPIKE GLYCOPROTEIN

(Betacoronavirus
1) 		PF16451
(Spike_NTD) 		4 THR A 200
ASP A 225
THR A 226
ASP A 206
 None
 1.22A 2okcB-4h14A:
undetectable		 2okcB-4h14A:
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.
4iik ADENOSINE
MONOPHOSPHATE-PROTEI
N HYDROLASE SIDD

(Legionella
pneumophila) 		no annotation 4 ARG A 199
THR A 240
THR A 149
ASP A 138
 None
None
None
GOL  A 417 ( 3.5A)
 1.17A 2okcB-4iikA:
undetectable		 2okcB-4iikA:
19.47
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.
4j6c CYTOCHROME P450
MONOOXYGENASE

(Nocardia
farcinica) 		PF00067
(p450) 		4 THR A  23
THR A  46
ASP A 326
THR A 328
 None
 1.30A 2okcB-4j6cA:
undetectable		 2okcB-4j6cA:
23.25
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.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 THR A 419
ASP A 421
THR A 373
ASP A 400
 None
 1.05A 2okcB-4jsoA:
undetectable		 2okcB-4jsoA:
22.04
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.
4jxk OXIDOREDUCTASE

(Rhodococcus
opacus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 THR A 122
ARG A 121
THR A 299
THR A 163
 None
 0.93A 2okcB-4jxkA:
5.7		 2okcB-4jxkA:
23.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k81 GROWTH FACTOR
RECEPTOR-BOUND
PROTEIN 14

(Homo sapiens) 		PF00169
(PH)
PF00788
(RA) 		4 THR A 331
ARG A 330
THR A 150
ASP A 146
 None
 1.13A 2okcB-4k81A:
undetectable		 2okcB-4k81A:
20.98
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.
4mp4 GLUTATHIONE
S-TRANSFERASE

(Acinetobacter
baumannii) 		PF13417
(GST_N_3)
PF14834
(GST_C_4) 		4 ARG A 175
ASP A  12
THR A  11
ASP A  40
 None
 1.23A 2okcB-4mp4A:
undetectable		 2okcB-4mp4A:
18.69
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.
4qei GLYCINE--TRNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 THR A  73
ARG A  76
ASP A 608
ASP A 634
 None
A  C  37 ( 4.5A)
None
None
 1.26A 2okcB-4qeiA:
undetectable		 2okcB-4qeiA:
23.04
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 THR A 709
ARG A 676
ASP A 275
ASP A 215
 None
 1.06A 2okcB-4qmeA:
undetectable		 2okcB-4qmeA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qmf KRR1 SMALL SUBUNIT
PROCESSOME COMPONENT

(Saccharomyces
cerevisiae) 		no annotation 4 THR D  43
THR D  81
THR D  84
ASP D  90
 None
 1.30A 2okcB-4qmfD:
undetectable		 2okcB-4qmfD:
19.37
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.
4qni UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF14274
(DUF4361)
PF16343
(DUF4973) 		4 THR A 324
ASP A 249
THR A 248
ASP A 244
 None
 1.24A 2okcB-4qniA:
undetectable		 2okcB-4qniA:
21.76
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.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE LARGE
SUBUNIT

(Aquincola
tertiaricarbonis) 		PF01642
(MM_CoA_mutase) 		4 ARG A 493
THR A  95
ASP A 119
THR A 122
 None
 1.03A 2okcB-4r3uA:
undetectable		 2okcB-4r3uA:
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.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		4 THR A  93
ARG A  94
ASP A 113
ASP A 141
 None
None
SAH  A 801 (-3.0A)
SAH  A 801 (-3.7A)
 0.99A 2okcB-4uy6A:
9.2		 2okcB-4uy6A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		4 THR A  93
THR A  89
ASP A 113
ASP A 141
 None
None
SAH  A 801 (-3.0A)
SAH  A 801 (-3.7A)
 1.21A 2okcB-4uy6A:
9.2		 2okcB-4uy6A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v03 SITE-DETERMINING
PROTEIN

(Aquifex
aeolicus) 		PF01656
(CbiA) 		4 THR A   8
ASP A 121
THR A  17
ASP A  47
 None
MG  A 401 ( 4.0A)
MG  A 401 ( 3.0A)
None
 1.12A 2okcB-4v03A:
undetectable		 2okcB-4v03A:
22.20
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.
4wsh UROPORPHYRINOGEN
DECARBOXYLASE

(Pseudomonas
aeruginosa) 		PF01208
(URO-D) 		4 THR A 250
ASP A 271
THR A 273
ASP A 294
 None
 1.09A 2okcB-4wshA:
undetectable		 2okcB-4wshA:
22.67
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.
4zef AMINO ACID ABC
TRANSPORTER AMINO
ACID-BINDING/PERMEAS
E

(Enterococcus
faecalis) 		PF00497
(SBP_bac_3) 		4 THR A 328
ARG A 333
ASP A 416
THR A 399
 GLN  A 501 (-4.1A)
GLN  A 501 (-2.9A)
GLN  A 501 ( 4.9A)
None
 1.15A 2okcB-4zefA:
undetectable		 2okcB-4zefA:
19.91
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.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum) 		PF07715
(Plug) 		4 THR A 218
ASP A 829
THR A  81
ASP A 756
 None
 1.18A 2okcB-4zgvA:
undetectable		 2okcB-4zgvA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr8 UROPORPHYRINOGEN
DECARBOXYLASE

(Acinetobacter
baumannii) 		PF01208
(URO-D) 		4 THR A 249
ASP A 270
THR A 272
ASP A 293
 None
 1.12A 2okcB-4zr8A:
undetectable		 2okcB-4zr8A:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e3x THERMOSTABLE
CARBOXYPEPTIDASE 1

(Fervidobacterium
islandicum) 		PF02074
(Peptidase_M32) 		4 THR A 336
ARG A 335
THR A 225
ASP A 218
 None
 1.29A 2okcB-5e3xA:
undetectable		 2okcB-5e3xA:
23.18
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.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 THR A  79
THR A  76
ASP A 332
THR A 384
 None
 1.14A 2okcB-5e6sA:
2.0		 2okcB-5e6sA:
21.53
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.
5fyq NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2

(Homo sapiens) 		PF02146
(SIR2) 		4 THR A 166
THR A 262
ASP A  95
ASP A 105
 None
SO4  A1357 (-3.5A)
SO4  A1357 ( 4.8A)
None
 1.12A 2okcB-5fyqA:
2.2		 2okcB-5fyqA:
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.
5gnb SPIKE GLYCOPROTEIN

(Human
coronavirus
HKU1) 		PF09408
(Spike_rec_bind) 		4 THR A 603
ASP A 625
THR A 630
ASP A 623
 None
 1.28A 2okcB-5gnbA:
undetectable		 2okcB-5gnbA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gy0 GLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 THR A 594
ASP A 514
THR A 516
ASP A 551
 None
 0.94A 2okcB-5gy0A:
undetectable		 2okcB-5gy0A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 THR B 795
THR B 746
THR B 755
ASP B 759
 None
 1.24A 2okcB-5gztB:
undetectable		 2okcB-5gztB:
17.32
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 THR A 795
THR A 746
THR A 755
ASP A 759
 None
 1.22A 2okcB-5gzuA:
undetectable		 2okcB-5gzuA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT BETA

(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF10418
(DHODB_Fe-S_bind) 		4 THR L 232
THR L 230
THR S 225
ASP S 245
 None
 1.28A 2okcB-5jfcL:
undetectable		 2okcB-5jfcL:
21.70
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.
5jr3 CARMINOMYCIN
4-O-METHYLTRANSFERAS
E DNRK

(Streptomyces
peucetius) 		PF00891
(Methyltransf_2) 		4 THR A  58
ARG A  57
ASP A 108
THR A 110
 None
SO4  A 404 (-3.1A)
None
None
 1.23A 2okcB-5jr3A:
10.6		 2okcB-5jr3A:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kar ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3B

(Mus musculus) 		PF00149
(Metallophos) 		4 THR A  95
ASP A  65
THR A 304
ASP A  61
 None
 1.24A 2okcB-5karA:
undetectable		 2okcB-5karA:
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.
5mdu RPB7-BINDING PROTEIN
SEB1

(Schizosaccharomyces
pombe) 		PF00076
(RRM_1) 		4 THR A 500
THR A 505
THR A 515
ASP A 527
 None
 1.16A 2okcB-5mduA:
undetectable		 2okcB-5mduA:
14.90
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 4 THR A 639
ASP A 665
THR A 666
ASP A 699
 None
 1.01A 2okcB-5n4lA:
undetectable		 2okcB-5n4lA:
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 4 ARG A 527
THR A 551
THR A 333
ASP A 243
 None
 1.13A 2okcB-5nn8A:
undetectable		 2okcB-5nn8A:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o6y PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		no annotation 4 THR B 255
THR B  78
THR B  88
ASP B  93
 NA  B 317 (-3.6A)
None
None
NA  B 315 ( 4.1A)
 1.27A 2okcB-5o6yB:
undetectable		 2okcB-5o6yB:
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.
5tvj ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN

(Mycobacterium
tuberculosis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		4 THR A 288
ARG A 286
ASP A 229
THR A 231
 None
 1.16A 2okcB-5tvjA:
undetectable		 2okcB-5tvjA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tvj ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN

(Mycobacterium
tuberculosis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		4 THR A 288
ARG A 286
THR A 231
ASP A 211
 None
 1.11A 2okcB-5tvjA:
undetectable		 2okcB-5tvjA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u7z ACID CERAMIDASE

(Homo sapiens) 		no annotation 4 ARG B 333
THR B 319
THR B 295
ASP B 297
 SO4  B 406 (-3.7A)
SO4  B 406 (-3.0A)
None
SO4  B 407 (-2.5A)
 1.28A 2okcB-5u7zB:
undetectable		 2okcB-5u7zB:
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.
5ue7 PHOSPHOMANNOMUTASE

(Candida
albicans) 		PF03332
(PMM) 		4 THR A 189
ASP A 192
THR A 194
ASP A 221
 None
None
None
MG  A 301 ( 4.4A)
 1.12A 2okcB-5ue7A:
undetectable		 2okcB-5ue7A:
20.93
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.
5w4z RIBOFLAVIN LYASE

(Herbiconiux) 		no annotation 4 THR A  19
ARG A  34
THR A 143
ASP A  68
 None
 1.26A 2okcB-5w4zA:
undetectable		 2okcB-5w4zA:
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.
5w7k OXAG

(Penicillium
oxalicum) 		no annotation 4 THR A  27
THR A  57
ASP A  82
ASP A 109
 SAH  A 301 (-2.9A)
None
SAH  A 301 (-2.7A)
SAH  A 301 (-3.6A)
 1.08A 2okcB-5w7kA:
12.7		 2okcB-5w7kA:
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.
5w7m GLANDICOLINE B
O-METHYLTRANSFERASE
ROQN

(Penicillium
rubens) 		no annotation 4 THR A  27
THR A  57
ASP A  82
ASP A 109
 SAH  A 301 (-2.9A)
None
SAH  A 301 (-2.9A)
SAH  A 301 (-3.8A)
 1.05A 2okcB-5w7mA:
12.6		 2okcB-5w7mA:
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.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 4 THR A 386
ARG A 227
THR A 215
ASP A 132
 None
PO4  A1203 ( 4.4A)
None
PO4  A1205 (-4.7A)
 1.29A 2okcB-5wivA:
undetectable		 2okcB-5wivA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xfl CATENIN ALPHA-2

(Mus musculus) 		no annotation 4 THR A 504
ASP A 386
THR A 323
ASP A 326
 None
 1.23A 2okcB-5xflA:
undetectable		 2okcB-5xflA:
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.
5xtb NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
4, MITOCHONDRIAL
NADH-UBIQUINONE
OXIDOREDUCTASE 75
KDA SUBUNIT,
MITOCHONDRIAL

(Homo sapiens;
Homo sapiens) 		PF04800
(ETC_C1_NDUFA4)
PF00384
(Molybdopterin)
PF09326
(NADH_dhqG_C)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		4 ARG L 106
THR L 103
THR M 606
ASP M 347
 None
 1.28A 2okcB-5xtbL:
undetectable		 2okcB-5xtbL:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y37 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Streptococcus
agalactiae) 		no annotation 4 THR A 301
ASP A 297
THR A 278
ASP A 286
 None
 1.22A 2okcB-5y37A:
2.6		 2okcB-5y37A:
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.
5zya SPLICING FACTOR 3B
SUBUNIT 1

(Homo sapiens) 		no annotation 4 THR C 612
ASP C 616
THR C 628
ASP C 621
 None
 1.14A 2okcB-5zyaC:
undetectable		 2okcB-5zyaC:
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.
6brr DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		no annotation 4 THR A 875
ARG A 885
THR A 862
ASP A 811
 None
 1.27A 2okcB-6brrA:
6.5		 2okcB-6brrA:
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.
6dd6 PHOTOLYASE PHRB

(Agrobacterium
tumefaciens) 		no annotation 4 THR A 232
ARG A 236
ASP A 201
THR A 204
 None
 0.99A 2okcB-6dd6A:
undetectable		 2okcB-6dd6A:
undetectable