SIMILAR PATTERNS OF AMINO ACIDS FOR 2OKC_B_SAMB500_0

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