SIMILAR PATTERNS OF AMINO ACIDS FOR 2OKC_A_SAMA500

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.
1c3e GLYCINAMIDE
RIBONUCLEOTIDE
TRANSFORMYLASE

(Escherichia
coli) 		PF00551
(Formyl_trans_N) 		5 ALA A  40
GLY A  87
THR A  53
VAL A  33
ASN A  10
 None
GAR  A 221 (-3.2A)
None
None
GAR  A 221 ( 4.7A)
 0.98A 2okcA-1c3eA:
2.6		 2okcA-1c3eA:
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.
1dcu FRUCTOSE-1,6-BISPHOS
PHATASE

(Pisum sativum) 		PF00316
(FBPase) 		5 ILE A 227
GLY A 320
GLY A 318
VAL A 327
PHE A 236
 None
 1.12A 2okcA-1dcuA:
undetectable		 2okcA-1dcuA:
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.
1euf DUODENASE

(Bos taurus) 		PF00089
(Trypsin) 		5 TYR A 215
ILE A  16
ALA A 183
ASN A 189
PRO A 225
 None
 1.15A 2okcA-1eufA:
undetectable		 2okcA-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.
1obb ALPHA-GLUCOSIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 ALA A 287
GLY A 281
VAL A 262
SER A 118
ASN A 236
 None
 1.05A 2okcA-1obbA:
4.4		 2okcA-1obbA:
23.84
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.
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 2okcA-1qlmA:
undetectable		 2okcA-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.
1ry2 ACETYL-COENZYME A
SYNTHETASE 1

(Saccharomyces
cerevisiae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 ILE A 571
GLY A 558
GLY A 560
THR A 546
PHE A 532
 AMP  A 720 (-3.9A)
None
None
None
None
 1.13A 2okcA-1ry2A:
undetectable		 2okcA-1ry2A:
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.
1v02 DHURRINASE

(Sorghum bicolor) 		PF00232
(Glyco_hydro_1) 		5 ILE A  65
ALA A  74
GLY A 464
SER A  77
ASN A  70
 None
 1.12A 2okcA-1v02A:
undetectable		 2okcA-1v02A:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v26 LONG-CHAIN-FATTY-ACI
D-COA SYNTHETASE

(Thermus
thermophilus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A 304
GLY A 302
GLY A 325
THR A 276
VAL A 274
 AMP  A1002 (-3.8A)
MYR  A1001 ( 3.5A)
MYR  A1001 ( 3.8A)
None
None
 1.05A 2okcA-1v26A:
undetectable		 2okcA-1v26A:
22.30
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.
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
 1.15A 2okcA-1wcgA:
undetectable		 2okcA-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
 1.13A 2okcA-1wd3A:
undetectable		 2okcA-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.
1zpu IRON TRANSPORT
MULTICOPPER OXIDASE
FET3

(Saccharomyces
cerevisiae) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A  72
GLY A 107
THR A  47
ASN A  74
ARG A  43
 None
 1.15A 2okcA-1zpuA:
undetectable		 2okcA-1zpuA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cb0 GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Pyrococcus
furiosus) 		PF01380
(SIS) 		5 ILE A  34
GLY A  85
THR A  92
VAL A  95
PHE A 142
 None
 1.01A 2okcA-2cb0A:
undetectable		 2okcA-2cb0A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cfm THERMOSTABLE DNA
LIGASE

(Pyrococcus
furiosus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 ALA A 146
THR A  73
VAL A  69
SER A 108
PRO A 148
 None
 1.14A 2okcA-2cfmA:
undetectable		 2okcA-2cfmA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2okcA-2cn3A:
undetectable		 2okcA-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.
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
 1.00A 2okcA-2duaA:
undetectable		 2okcA-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.
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
 1.03A 2okcA-2hufA:
3.3		 2okcA-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
 1.11A 2okcA-2ie8A:
2.1		 2okcA-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
 1.11A 2okcA-2iv0A:
undetectable		 2okcA-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 ALA A 178
GLY A 183
VAL A 220
SER A 244
ARG A 265
PHE A 288
 SAM  A 500 (-3.4A)
SAM  A 500 (-3.2A)
None
SAM  A 500 (-3.8A)
SAM  A 500 ( 4.6A)
SAM  A 500 (-4.8A)
 1.37A 2okcA-2okcA:
68.0		 2okcA-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) 		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)
 0.92A 2okcA-2okcA:
68.0		 2okcA-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
THR A 216
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 (-4.0A)
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)
 0.10A 2okcA-2okcA:
68.0		 2okcA-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.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 ILE A 282
ALA A 274
GLY A  62
GLY A  65
THR A  98
 None
 1.10A 2okcA-2p50A:
undetectable		 2okcA-2p50A:
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.
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 2okcA-2pnwA:
undetectable		 2okcA-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.
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
 1.08A 2okcA-2xw7A:
undetectable		 2okcA-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
 0.61A 2okcA-2y7cB:
42.6		 2okcA-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
 0.45A 2okcA-2y7cB:
42.6		 2okcA-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) 		5 ILE B 159
ALA B 175
THR B 221
ASN B 266
PRO B 268
 None
 1.08A 2okcA-2y7cB:
42.6		 2okcA-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
THR A  79
VAL A  78
ASN A 252
 None
 0.98A 2okcA-2ylnA:
undetectable		 2okcA-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
 1.26A 2okcA-2yxdA:
11.9		 2okcA-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.
3a4t PUTATIVE
METHYLTRANSFERASE
MJ0026

(Methanocaldococcus
jannaschii) 		PF01189
(Methyltr_RsmB-F) 		5 TYR A  65
GLY A  63
GLY A 132
THR A  57
ASN A 127
 None
 1.11A 2okcA-3a4tA:
11.2		 2okcA-3a4tA:
20.30
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.
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 2okcA-3afbA:
undetectable		 2okcA-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.
3bba INTERPAIN A

(Prevotella
intermedia) 		PF01640
(Peptidase_C10) 		5 GLY A 133
GLY A 153
THR A 131
ASN A 139
PRO A 137
 None
 1.09A 2okcA-3bbaA:
undetectable		 2okcA-3bbaA:
19.25
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.
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
 1.23A 2okcA-3du4A:
undetectable		 2okcA-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.
3eco MEPR

(Staphylococcus
aureus) 		PF12802
(MarR_2) 		5 TYR A  41
ILE A  53
GLY A  38
THR A 105
VAL A 101
 None
 1.00A 2okcA-3ecoA:
undetectable		 2okcA-3ecoA:
14.61
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.
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
 0.68A 2okcA-3g9kL:
undetectable		 2okcA-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
 1.12A 2okcA-3h8lA:
2.9		 2okcA-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.
3hwn CATHEPSIN L1

(Homo sapiens) 		PF00112
(Peptidase_C1) 		5 TYR A 217
ILE A 211
ALA A 121
VAL A 129
PRO A 116
 None
 1.05A 2okcA-3hwnA:
undetectable		 2okcA-3hwnA:
21.86
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.
3il3 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Haemophilus
influenzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 TYR A 117
ILE A 137
GLY A 114
GLY A 138
THR A 308
 None
None
SCY  A 112 ( 4.4A)
None
None
 1.11A 2okcA-3il3A:
undetectable		 2okcA-3il3A:
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.
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 2okcA-3iusA:
4.1		 2okcA-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
 0.67A 2okcA-3khkA:
29.9		 2okcA-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
 0.67A 2okcA-3khkA:
29.9		 2okcA-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.
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
 1.06A 2okcA-3koyA:
undetectable		 2okcA-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.
3lk6 LIPOPROTEIN YBBD

(Bacillus
subtilis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 ALA A 294
GLY A 303
THR A 317
VAL A 343
PRO A 293
 None
 1.13A 2okcA-3lk6A:
undetectable		 2okcA-3lk6A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lt3 POSSIBLE
MEMBRANE-ASSOCIATED
SERINE PROTEASE

(Mycobacterium
tuberculosis) 		PF13365
(Trypsin_2) 		5 ILE A 207
GLY A 295
GLY A 222
THR A 305
VAL A 293
 None
 1.13A 2okcA-3lt3A:
undetectable		 2okcA-3lt3A:
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.
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
 0.97A 2okcA-3mdeA:
undetectable		 2okcA-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
 1.09A 2okcA-3om8A:
undetectable		 2okcA-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
 1.11A 2okcA-3opyB:
undetectable		 2okcA-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.
3pmo UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep)
PF04613
(LpxD) 		5 ALA A 171
GLY A 152
GLY A 136
THR A 168
VAL A 150
 None
 1.07A 2okcA-3pmoA:
undetectable		 2okcA-3pmoA:
22.18
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.
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
 1.08A 2okcA-3ptkA:
undetectable		 2okcA-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.
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 2okcA-3rimA:
undetectable		 2okcA-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.
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
 0.65A 2okcA-3s1sA:
20.9		 2okcA-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.
3t8q MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Hoeflea
phototrophica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  81
GLY A  84
GLY A 264
THR A   8
VAL A  17
 None
 1.10A 2okcA-3t8qA:
undetectable		 2okcA-3t8qA:
22.88
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.
3t9p MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 103
GLY A 106
GLY A 286
THR A  30
VAL A  39
 None
 1.05A 2okcA-3t9pA:
undetectable		 2okcA-3t9pA:
23.00
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.
3tcs RACEMASE, PUTATIVE

(Roseobacter
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  81
GLY A  84
GLY A 264
THR A   8
VAL A  17
 None
 1.09A 2okcA-3tcsA:
undetectable		 2okcA-3tcsA:
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.
3tqr PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Coxiella
burnetii) 		PF00551
(Formyl_trans_N) 		5 ALA A  44
GLY A  91
THR A  57
VAL A  37
ASN A  15
 None
 0.99A 2okcA-3tqrA:
2.5		 2okcA-3tqrA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u4a JMB19063

(compost
metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		6 ILE A 124
GLY A  52
GLY A  82
VAL A  50
PRO A  78
PHE A 332
 None
 1.39A 2okcA-3u4aA:
undetectable		 2okcA-3u4aA:
21.61
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.
3u4f MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  81
GLY A  84
GLY A 264
THR A   8
VAL A  17
 None
 1.12A 2okcA-3u4fA:
undetectable		 2okcA-3u4fA:
21.98
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.
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
 1.12A 2okcA-3u5uA:
undetectable		 2okcA-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
 0.50A 2okcA-3ufbA:
34.2		 2okcA-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)
 1.14A 2okcA-3wyhA:
undetectable		 2okcA-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
 1.14A 2okcA-3zkbA:
undetectable		 2okcA-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.
4acz ENDO-ALPHA-MANNOSIDA
SE

(Bacteroides
thetaiotaomicron) 		PF16317
(Glyco_hydro_99) 		5 TYR B  91
ILE B 286
ALA B  87
GLY B 333
THR B  96
 None
 1.06A 2okcA-4aczB:
undetectable		 2okcA-4aczB:
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.
4g9b BETA-PHOSPHOGLUCOMUT
ASE

(Escherichia
coli) 		PF13419
(HAD_2) 		5 ILE A 180
ALA A 166
GLY A   5
GLY A 169
PRO A 163
 None
 1.08A 2okcA-4g9bA:
undetectable		 2okcA-4g9bA:
18.47
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.
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 2okcA-4jn6B:
3.2		 2okcA-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.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		5 ALA A  26
GLY A  48
GLY A  45
THR A  50
VAL A  40
 None
None
EDO  A 306 ( 4.4A)
None
None
 1.15A 2okcA-4ldnA:
undetectable		 2okcA-4ldnA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ng3 5-CARBOXYVANILLATE
DECARBOXYLASE

(Sphingomonas
paucimobilis) 		PF04909
(Amidohydro_2) 		5 TYR A 171
ALA A 327
THR A 269
VAL A 223
ASN A 138
 None
 1.15A 2okcA-4ng3A:
undetectable		 2okcA-4ng3A:
21.18
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.
4nsx U3 SMALL NUCLEOLAR
RNA-ASSOCIATED
PROTEIN 21

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 TYR A 487
ALA A 467
GLY A 475
GLY A 472
THR A 485
 None
 1.14A 2okcA-4nsxA:
undetectable		 2okcA-4nsxA:
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.
4oxi ENTEROBACTIN
SYNTHETASE COMPONENT
F-RELATED PROTEIN

(Vibrio cholerae) 		PF00501
(AMP-binding) 		5 ALA A 319
GLY A 317
GLY A 341
THR A 291
VAL A 289
 GAP  A 601 (-4.3A)
GAP  A 601 (-3.2A)
GAP  A 601 (-4.9A)
None
None
 0.82A 2okcA-4oxiA:
undetectable		 2okcA-4oxiA:
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.
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 2okcA-4p13A:
undetectable		 2okcA-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 2okcA-4p6vB:
undetectable		 2okcA-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.
4pza GLUCOSYL-3-PHOSPHOGL
YCERATE PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF00300
(His_Phos_1) 		5 ALA A 158
GLY A 160
GLY A 185
THR A  85
SER A  56
 None
PO4  A 601 (-3.5A)
None
None
None
 1.05A 2okcA-4pzaA:
undetectable		 2okcA-4pzaA:
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.
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
 1.11A 2okcA-4qavA:
undetectable		 2okcA-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
 1.11A 2okcA-4r2vA:
undetectable		 2okcA-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.
4rk2 PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Rhizobium etli) 		PF01547
(SBP_bac_1) 		5 ALA A 194
GLY A 262
GLY A 259
THR A 178
PRO A 265
 None
 1.07A 2okcA-4rk2A:
undetectable		 2okcA-4rk2A:
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.
4u4e THIOLASE

(Sphaerobacter
thermophilus) 		PF02803
(Thiolase_C) 		5 ILE A 379
ALA A   9
GLY A   6
GLY A 234
PRO A 229
 None
 1.15A 2okcA-4u4eA:
undetectable		 2okcA-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
 0.92A 2okcA-4widA:
undetectable		 2okcA-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.
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
 1.13A 2okcA-5aexA:
undetectable		 2okcA-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.
5aid MEP2

(Candida
albicans) 		PF00909
(Ammonium_transp) 		6 TYR A 253
ALA A 300
GLY A 302
VAL A 361
ASN A 240
PHE A 312
 None
 1.42A 2okcA-5aidA:
undetectable		 2okcA-5aidA:
21.84
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.
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
 1.13A 2okcA-5c3mA:
4.2		 2okcA-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.
5c5h 2-SUCCINYLBENZOATE--
COA LIGASE

(Escherichia
coli) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A 249
GLY A 247
GLY A 270
THR A 226
VAL A 224
 4YB  A 502 (-4.1A)
4YB  A 502 (-3.6A)
4YB  A 502 (-4.4A)
None
4YB  A 502 ( 4.8A)
 0.96A 2okcA-5c5hA:
undetectable		 2okcA-5c5hA:
23.55
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.
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
 1.13A 2okcA-5cg0A:
undetectable		 2okcA-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
 1.14A 2okcA-5dteA:
undetectable		 2okcA-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
 1.12A 2okcA-5dudA:
undetectable		 2okcA-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.
5ed1 DOUBLE-STRANDED
RNA-SPECIFIC EDITASE
1

(Homo sapiens) 		PF02137
(A_deamin) 		5 TYR A 445
ILE A 528
GLY A 354
VAL A 331
SER A 599
 None
 0.97A 2okcA-5ed1A:
undetectable		 2okcA-5ed1A:
21.56
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.
5f9s SERINE--PYRUVATE
AMINOTRANSFERASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		5 ILE A  60
GLY A 206
VAL A 185
SER A  31
PRO A 215
 None
None
PLP  A 401 (-4.0A)
None
None
 1.11A 2okcA-5f9sA:
3.4		 2okcA-5f9sA:
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.
5fjn L-AMINO ACID
DEAMINASE

(Cosenzaea
myxofaciens) 		PF01266
(DAO) 		5 ALA A  90
GLY A  63
THR A 224
SER A  40
PRO A 209
 None
FAD  A 500 ( 4.8A)
None
None
None
 1.09A 2okcA-5fjnA:
undetectable		 2okcA-5fjnA:
22.59
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.
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
 1.11A 2okcA-5gr8A:
undetectable		 2okcA-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)
 0.32A 2okcA-5hr4C:
18.2		 2okcA-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.
5nnl INACTIVE
DIHYDROOROTASE-LIKE
DOMAIN

(Chaetomium
thermophilum) 		no annotation 5 ILE A1647
ALA A1532
GLY A1737
SER A1552
ARG A1547
 None
 1.05A 2okcA-5nnlA:
undetectable		 2okcA-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.
5o8r L-LYSINE
6-MONOOXYGENASE
INVOLVED IN
DESFERRIOXAMINE
BIOSYNTHESIS

(Erwinia
amylovora) 		no annotation 5 GLY A 338
GLY A 198
SER A 166
ARG A 170
PHE A 173
 NAP  A 502 (-3.5A)
NAP  A 502 (-3.4A)
None
None
None
 1.14A 2okcA-5o8rA:
undetectable		 2okcA-5o8rA:
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.
5te1 ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF16114
(Citrate_bind) 		5 ILE A 745
GLY A 664
GLY A 283
THR A 639
VAL A 626
 None
7A2  A 901 (-4.0A)
PO4  A 902 (-3.5A)
None
7A2  A 901 ( 4.3A)
 1.12A 2okcA-5te1A:
4.4		 2okcA-5te1A:
21.25
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.
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)
 1.09A 2okcA-5wpkA:
undetectable		 2okcA-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.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 6 ILE A 150
GLY A  78
GLY A 108
VAL A  76
PRO A 104
PHE A 357
 None
 1.37A 2okcA-5xxoA:
undetectable		 2okcA-5xxoA:
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 2okcA-5xyjB:
undetectable		 2okcA-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)
 0.47A 2okcA-5ybbA:
34.2		 2okcA-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.
6b73 SOLUBLE CYTOCHROME
B562, KAPPA-TYPE
OPIOID RECEPTOR

(Escherichia
coli;
Homo sapiens) 		no annotation 5 TYR A 320
ALA A 104
GLY A  76
THR A 111
ASN A 326
 CVV  A2001 (-3.8A)
None
None
CVV  A2001 ( 4.3A)
None
 1.13A 2okcA-6b73A:
undetectable		 2okcA-6b73A:
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.
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
 1.11A 2okcA-6c62A:
undetectable		 2okcA-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.
6ci7 YCAO

(Methanopyrus
kandleri) 		no annotation 5 ILE A  50
ALA A 254
GLY A 256
THR A 224
VAL A 233
 None
 1.08A 2okcA-6ci7A:
undetectable		 2okcA-6ci7A:
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.
6fm9 UDP-N-ACETYLGLUCOSAM
INE--DOLICHYL-PHOSPH
ATE
N-ACETYLGLUCOSAMINEP
HOSPHOTRANSFERASE

(Homo sapiens) 		no annotation 5 ALA A 258
GLY A 112
THR A 234
SER A 198
PHE A 262
 None
 0.97A 2okcA-6fm9A:
undetectable		 2okcA-6fm9A:
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.
6gng -

(-) 		no annotation 5 GLY A 121
GLY A 125
THR A 115
SER A  27
PHE A 135
 None
QPS  A 601 (-3.4A)
None
None
None
 1.06A 2okcA-6gngA:
undetectable		 2okcA-6gngA:
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.
1awb MYO-INOSITOL
MONOPHOSPHATASE

(Homo sapiens) 		PF00459
(Inositol_P) 		4 THR A  96
THR A 195
ASP A 220
ASP A 274
 None
None
CA  A 278 (-2.9A)
None
 1.18A 2okcA-1awbA:
undetectable		 2okcA-1awbA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d7q TRANSLATION
INITIATION FACTOR 1A

(Homo sapiens) 		PF01176
(eIF-1a) 		4 THR A  86
ASP A  88
ASN A 109
ASP A 111
 None
 1.28A 2okcA-1d7qA:
undetectable		 2okcA-1d7qA:
17.27
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.
1fok PROTEIN (FOKI
RESTRICTION
ENDONUCLEASE)

(Planomicrobium
okeanokoites) 		PF02980
(FokI_C)
PF02981
(FokI_N)
PF09254
(Endonuc-FokI_C)
PF16902
(Type2_restr_D3) 		4 THR A 298
ARG A 307
ASN A 104
ASP A 103
 None
 1.19A 2okcA-1fokA:
undetectable		 2okcA-1fokA:
20.75
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.
1fy1 HEPARIN-BINDING
PROTEIN

(Homo sapiens) 		PF00089
(Trypsin) 		4 THR A 177
THR A  38
ASP A  89
ASN A  86
 None
 0.98A 2okcA-1fy1A:
undetectable		 2okcA-1fy1A:
20.27
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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		4 THR A 642
ASP A 646
ASN A 650
ASP A 653
 None
 1.17A 2okcA-1itkA:
undetectable		 2okcA-1itkA:
21.84
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.
1jfn APOLIPOPROTEIN A,
KIV-T6

(Homo sapiens) 		PF00051
(Kringle) 		4 THR A  42
THR A  39
ASN A  76
ASP A  78
 None
 1.25A 2okcA-1jfnA:
undetectable		 2okcA-1jfnA:
13.20
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.
1jn0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
A

(Spinacia
oleracea) 		no annotation 4 THR O  96
THR O  33
ASP O  76
ASN O  81
 NDP  O6335 (-4.3A)
NDP  O6335 (-3.3A)
None
None
 1.21A 2okcA-1jn0O:
2.4		 2okcA-1jn0O:
21.96
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.
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)
 0.62A 2okcA-1l3iA:
12.7		 2okcA-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.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 THR A 586
ARG A 483
THR A 557
ASP A 545
 None
 1.33A 2okcA-1qgdA:
undetectable		 2okcA-1qgdA:
21.35
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.
1qil TOXIC SHOCK SYNDROME
TOXIN-1

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C) 		4 THR A 128
THR A  89
ASN A  37
ASP A  39
 None
 1.13A 2okcA-1qilA:
undetectable		 2okcA-1qilA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tll NITRIC-OXIDE
SYNTHASE, BRAIN

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 ARG A1407
THR A1353
ASN A 811
ASP A 813
 None
NAP  A1453 ( 4.4A)
None
None
 1.27A 2okcA-1tllA:
2.3		 2okcA-1tllA:
21.91
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.
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)
 1.24A 2okcA-1yb1A:
5.9		 2okcA-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.
1ycn PUTATIVE
CA2+-DEPENDENT
MEMBRANE-BINDING
PROTEIN ANNEXIN

(Arabidopsis
thaliana) 		PF00191
(Annexin) 		4 THR A 142
ASP A 144
ASN A 185
ASP A 186
 None
 1.17A 2okcA-1ycnA:
undetectable		 2okcA-1ycnA:
22.69
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.
1yhp CALCIUM-DEPENDENT
CELL ADHESION
MOLECULE-1

(Dictyostelium
discoideum) 		PF08964
(Crystall_3)
PF14564
(Membrane_bind) 		4 THR A 203
THR A  28
ASN A  38
ASP A  39
 None
 1.07A 2okcA-1yhpA:
undetectable		 2okcA-1yhpA:
16.33
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.
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)
 0.41A 2okcA-2f8lA:
25.5		 2okcA-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.
2gep SULFITE REDUCTASE
HEMOPROTEIN

(Escherichia
coli) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 THR A 512
ARG A 513
ASN A 395
ASP A 344
 None
 1.34A 2okcA-2gepA:
undetectable		 2okcA-2gepA:
21.12
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.
2ioy PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caldanaerobacter
subterraneus) 		PF13407
(Peripla_BP_4) 		4 THR A 218
THR A 233
ASN A 105
ASP A 140
 None
 1.19A 2okcA-2ioyA:
undetectable		 2okcA-2ioyA:
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 THR A 207
ASP A 216
ASN A 218
ASP A 223
 None
None
ACT  A1978 ( 4.2A)
MO  A1985 ( 2.5A)
 1.16A 2okcA-2ivfA:
undetectable		 2okcA-2ivfA:
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.
2m6m ERAD-ASSOCIATED E3
UBIQUITIN-PROTEIN
LIGASE DOA10

(Saccharomyces
cerevisiae) 		PF12906
(RINGv) 		4 THR A  26
THR A  38
ASN A  50
ASP A  49
 None
 1.28A 2okcA-2m6mA:
undetectable		 2okcA-2m6mA:
12.41
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.
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
 1.18A 2okcA-2nn6F:
undetectable		 2okcA-2nn6F:
21.65
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
ASN A 215
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 (-3.2A)
SAM  A 500 (-3.3A)
 0.07A 2okcA-2okcA:
68.0		 2okcA-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.
2yeq ALKALINE PHOSPHATASE
D

(Bacillus
subtilis) 		PF09423
(PhoD)
PF16655
(PhoD_N) 		4 THR A 207
ASP A 210
ASN A 216
ASP A 289
 None
CA  A1526 (-2.8A)
CA  A1526 (-3.3A)
None
 1.33A 2okcA-2yeqA:
undetectable		 2okcA-2yeqA:
20.77
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.
2zsi PROBABLE GIBBERELLIN
RECEPTOR GID1L1

(Arabidopsis
thaliana) 		PF07859
(Abhydrolase_3) 		4 THR A  20
THR A 318
ASN A 332
ASP A 335
 None
 1.20A 2okcA-2zsiA:
undetectable		 2okcA-2zsiA:
21.20
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.
3afl OLIGO ALGINATE LYASE

(Agrobacterium
fabrum) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		4 THR A 243
ARG A 289
THR A 247
ASN A 191
 None
 1.16A 2okcA-3aflA:
2.1		 2okcA-3aflA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3al8 SEMAPHORIN-6A

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		4 ARG A 208
THR A 188
ASN A 141
ASP A 103
 None
 1.33A 2okcA-3al8A:
undetectable		 2okcA-3al8A:
20.83
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.
3aut GLUCOSE
1-DEHYDROGENASE 4

(Bacillus
megaterium) 		PF13561
(adh_short_C2) 		4 ARG A 125
ASP A 114
ASN A 110
ASP A 107
 None
 1.25A 2okcA-3autA:
5.3		 2okcA-3autA:
21.72
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.
3b8l UNCHARACTERIZED
PROTEIN

(Novosphingobium
aromaticivorans) 		PF13577
(SnoaL_4) 		4 THR A 119
ARG A 117
THR A  36
ASP A  27
 None
 1.30A 2okcA-3b8lA:
undetectable		 2okcA-3b8lA:
15.56
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.
3bz5 INTERNALIN-J

(Listeria
monocytogenes) 		PF12799
(LRR_4) 		4 THR A 166
ASP A 227
ASN A 248
ASP A 269
 None
 1.26A 2okcA-3bz5A:
undetectable		 2okcA-3bz5A:
25.05
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		4 THR A  54
THR A  81
ASP A 102
ASP A 130
 SAH  A 464 (-3.5A)
None
SAH  A 464 (-2.8A)
SAH  A 464 (-4.1A)
 0.92A 2okcA-3c3yA:
11.8		 2okcA-3c3yA:
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.
3cc1 PUTATIVE
ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Bacillus
halodurans) 		PF16499
(Melibiase_2) 		4 THR A 327
THR A 293
ASP A  19
ASP A  52
 None
None
None
IMD  A 437 (-3.3A)
 1.32A 2okcA-3cc1A:
undetectable		 2okcA-3cc1A:
21.26
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.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		4 THR A  49
ASP A  67
ASN A  68
ASP A  89
 None
 0.63A 2okcA-3ccfA:
12.3		 2okcA-3ccfA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2okcA-3e1sA:
undetectable		 2okcA-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.
3eo3 BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE

(Homo sapiens) 		PF00480
(ROK) 		4 THR A 542
ASP A 517
ASN A 516
ASP A 515
 None
 0.88A 2okcA-3eo3A:
undetectable		 2okcA-3eo3A:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k8v FLAGELLIN HOMOLOG

(Sphingomonas
sp. A1) 		PF00669
(Flagellin_N)
PF00700
(Flagellin_C)
PF07196
(Flagellin_IN) 		4 THR A 232
THR A 291
ASN A 104
ASP A 108
 None
 1.21A 2okcA-3k8vA:
undetectable		 2okcA-3k8vA:
20.80
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.
3ldh LACTATE
DEHYDROGENASE

(Squalus
acanthias) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ARG A 267
THR A 260
ASN A  22
ASP A  47
 None
 1.02A 2okcA-3ldhA:
4.1		 2okcA-3ldhA:
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.
3mw4 NEUREXIN-2-BETA

(Mus musculus) 		PF02210
(Laminin_G_2) 		4 THR A 207
ASP A 135
ASN A 151
ASP A 156
 None
CA  A   1 (-2.9A)
None
None
 1.06A 2okcA-3mw4A:
undetectable		 2okcA-3mw4A:
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.
3n90 THYLAKOID LUMENAL 15
KDA PROTEIN 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00805
(Pentapeptide) 		4 THR A 164
ASP A 142
ASN A 122
ASP A 102
 None
 1.29A 2okcA-3n90A:
undetectable		 2okcA-3n90A:
17.06
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.
3py9 PROTEIN KINASE

(Staphylococcus
aureus) 		PF03793
(PASTA) 		4 THR A 216
ASP A 241
ASN A 244
ASP A 245
 None
 1.09A 2okcA-3py9A:
undetectable		 2okcA-3py9A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rom ADP-RIBOSYL CYCLASE
1

(Homo sapiens) 		PF02267
(Rib_hydrolayse) 		4 THR A 148
THR A 144
ASN A 120
ASP A 202
 None
 1.29A 2okcA-3romA:
undetectable		 2okcA-3romA:
21.77
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.
3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE

(Streptococcus
mutans) 		PF00857
(Isochorismatase) 		4 THR A 125
ASP A  46
ASN A  44
ASP A  43
 None
 1.27A 2okcA-3s2sA:
undetectable		 2okcA-3s2sA:
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.
3sku GLYCOPROTEIN D

(Human
alphaherpesvirus
1) 		PF01537
(Herpes_glycop_D) 		4 THR A 131
ARG A  36
ASN A 171
ASP A 172
 None
 1.33A 2okcA-3skuA:
undetectable		 2okcA-3skuA:
20.35
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 THR A 921
ASP A 902
ASN A 876
ASP A 830
 None
 1.32A 2okcA-3syjA:
undetectable		 2okcA-3syjA:
17.91
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.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		4 THR A  70
ASP A 144
ASN A 171
ASP A 213
 None
NI  A 223 ( 2.5A)
NI  A 223 (-2.8A)
None
 1.31A 2okcA-3tr6A:
12.9		 2okcA-3tr6A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wcs ERYTHROAGGLUTININ

(Phaseolus
vulgaris) 		PF00139
(Lectin_legB) 		4 THR A  63
THR A  54
ASP A 245
ASN A  96
 None
 1.27A 2okcA-3wcsA:
undetectable		 2okcA-3wcsA:
20.18
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.
3whc FATTY ACID
METABOLISM REGULATOR
PROTEIN

(Bacillus
subtilis) 		PF00440
(TetR_N)
PF08359
(TetR_C_4) 		4 THR A 104
ARG A 109
THR A 165
ASP A 175
 ST9  A 201 (-4.4A)
ST9  A 201 (-3.9A)
None
None
 1.13A 2okcA-3whcA:
undetectable		 2okcA-3whcA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x0v L-LYSINE OXIDASE

(Trichoderma
viride) 		PF01593
(Amino_oxidase) 		4 THR A 349
THR A 370
ASN A 200
ASP A 203
 EPE  A 602 ( 4.0A)
None
None
None
 1.17A 2okcA-3x0vA:
undetectable		 2okcA-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
 1.23A 2okcA-3zk4A:
undetectable		 2okcA-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.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		4 THR A1901
ASP A2037
ASN A2040
ASP A2042
 None
 1.26A 2okcA-4asiA:
undetectable		 2okcA-4asiA:
20.56
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 THR A1315
THR A1508
ASN A1498
ASP A1497
 None
 1.21A 2okcA-4bedA:
undetectable		 2okcA-4bedA:
14.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c4v OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		4 THR A 743
ARG A 767
ASP A 746
ASN A 748
 None
 1.18A 2okcA-4c4vA:
undetectable		 2okcA-4c4vA:
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.
4dlo BRAIN-SPECIFIC
ANGIOGENESIS
INHIBITOR 3

(Homo sapiens) 		PF01825
(GPS)
PF02793
(HRM)
PF16489
(GAIN) 		4 THR A 606
THR A 601
ASN A 625
ASP A 628
 None
None
NAG  A 904 (-1.6A)
None
 1.28A 2okcA-4dloA:
undetectable		 2okcA-4dloA:
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.
4ex4 MALATE SYNTHASE G

(Mycobacterium
leprae) 		PF01274
(Malate_synthase) 		4 THR A 524
ASP A 629
ASN A 605
ASP A 606
 None
 1.23A 2okcA-4ex4A:
undetectable		 2okcA-4ex4A:
23.40
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.
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
 1.23A 2okcA-4g9iA:
undetectable		 2okcA-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.
4i59 CYCLOHEXYLAMINE
OXIDASE

(Microbacterium
oxydans) 		PF01593
(Amino_oxidase) 		4 THR A 413
ARG A 320
ASN A  63
ASP A  64
 None
None
FAD  A 501 (-4.6A)
None
 1.32A 2okcA-4i59A:
undetectable		 2okcA-4i59A:
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.
4jbh ALCOHOL
DEHYDROGENASE (ZINC)

(Pyrobaculum
aerophilum) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 THR A 252
THR A 232
ASN A  39
ASP A  42
 None
 1.22A 2okcA-4jbhA:
7.5		 2okcA-4jbhA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kng LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		4 THR A 334
ASP A 380
ASN A 404
ASP A 428
 None
 1.33A 2okcA-4kngA:
undetectable		 2okcA-4kngA:
20.40
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.
4mzq BETA-ALANYL-COA:AMMO
NIA LYASE

(Anaerotignum
propionicum) 		no annotation 4 THR A  38
ASP A  47
ASN A 128
ASP A 127
 None
 1.27A 2okcA-4mzqA:
undetectable		 2okcA-4mzqA:
15.52
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.
4n2z GH62
ARABINOFURANOSIDASE

(Podospora
anserina) 		PF03664
(Glyco_hydro_62) 		4 THR A  31
THR A  29
ASN A 304
ASP A 301
 None
 1.27A 2okcA-4n2zA:
undetectable		 2okcA-4n2zA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nme PROLINE
DEHYDROGENASE AND
DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Geobacter
sulfurreducens) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		4 THR A 205
THR A 151
ASP A 775
ASP A  57
 None
 1.33A 2okcA-4nmeA:
undetectable		 2okcA-4nmeA:
18.47
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.
4ohj TOXIC SHOCK SYNDROME
TOXIN-1

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C) 		4 THR A 168
THR A 129
ASN A  77
ASP A  79
 None
 1.18A 2okcA-4ohjA:
undetectable		 2okcA-4ohjA:
18.75
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.
4qdi UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D-ALANINE LIGASE

(Acinetobacter
baumannii) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 THR A 453
THR A 457
ASP A 340
ASN A 329
 None
 0.96A 2okcA-4qdiA:
undetectable		 2okcA-4qdiA:
22.91
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.
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
 1.25A 2okcA-4qeiA:
undetectable		 2okcA-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
 1.09A 2okcA-4qmeA:
undetectable		 2okcA-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.
4r12 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Dictyostelium
purpureum) 		PF05450
(Nicastrin) 		4 THR A 419
ASP A 253
ASN A 439
ASP A 436
 None
 1.27A 2okcA-4r12A:
undetectable		 2okcA-4r12A:
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.
4twe N-ACETYLATED-ALPHA-L
INKED ACIDIC
DIPEPTIDASE-LIKE
PROTEIN

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 THR A 530
ASP A 526
ASN A 443
ASP A 512
 None
 1.26A 2okcA-4tweA:
undetectable		 2okcA-4tweA:
21.61
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.
4twr NAD BINDING
SITE:NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E:UDP-GLUCOSE
4-EPIMERASE

(Brucella
abortus) 		PF01370
(Epimerase) 		4 THR A  19
ASP A  34
ASN A  35
ASP A  53
 None
NAD  A 400 (-2.7A)
NAD  A 400 (-3.2A)
NAD  A 400 (-3.1A)
 0.97A 2okcA-4twrA:
4.9		 2okcA-4twrA:
23.31
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.
4u8u LINKER L2
LINKER L3

(Glossoscolex
paulistus;
Glossoscolex
paulistus) 		PF00057
(Ldl_recept_a)
PF16915
(Eryth_link_C)
PF00057
(Ldl_recept_a)
PF16915
(Eryth_link_C) 		4 ARG N  60
ASP O 190
ASN O 193
ASP O 195
 None
 1.25A 2okcA-4u8uN:
undetectable		 2okcA-4u8uN:
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.
4ufs LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		4 THR A 334
ASP A 380
ASN A 404
ASP A 428
 None
 1.28A 2okcA-4ufsA:
undetectable		 2okcA-4ufsA:
19.80
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)
 1.19A 2okcA-4uy6A:
9.2		 2okcA-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.
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNG
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli;
Escherichia
coli) 		PF06754
(PhnG)
PF05861
(PhnI) 		4 ARG C 271
THR A  56
ASP C  95
ASP C 231
 None
 1.17A 2okcA-4xb6C:
undetectable		 2okcA-4xb6C:
21.37
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.
4xef PROTEIN-TYROSINE
KINASE 2-BETA

(Homo sapiens) 		PF03623
(Focal_AT) 		4 THR A 978
ASP A 986
ASN A 989
ASP A 992
 None
 1.32A 2okcA-4xefA:
undetectable		 2okcA-4xefA:
17.41
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.
4xeu TRANSKETOLASE

(Pseudomonas
aeruginosa) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 THR A 586
ARG A 483
THR A 557
ASP A 545
 None
 1.33A 2okcA-4xeuA:
undetectable		 2okcA-4xeuA:
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.
4xev FUSION PROTEIN OF
PROTEIN-TYROSINE
KINASE 2-BETA FAT
DOMAIN AND LEUPAXIN
LD1 MOTIF

(Homo sapiens) 		PF03623
(Focal_AT) 		4 THR A 978
ASP A 986
ASN A 989
ASP A 992
 None
 1.31A 2okcA-4xevA:
undetectable		 2okcA-4xevA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		4 THR A1232
ARG A1234
THR A1277
ASN A1058
 None
 1.18A 2okcA-4xqkA:
22.8		 2okcA-4xqkA:
14.76
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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 THR A 681
ASP A 624
ASN A 694
ASP A 695
 None
 1.13A 2okcA-5a0zA:
undetectable		 2okcA-5a0zA:
22.25
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.
5awf FES CLUSTER ASSEMBLY
PROTEIN SUFB

(Escherichia
coli) 		PF01458
(UPF0051) 		4 THR A 326
THR A 349
ASN A 292
ASP A 291
 None
 1.30A 2okcA-5awfA:
undetectable		 2okcA-5awfA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bwd BENZYLSUCCINATE
SYNTHASE ALPHA CHAIN

(Thauera
aromatica) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 THR A 395
ASP A 335
ASN A 408
ASP A 409
 None
None
None
PGE  A 908 ( 4.8A)
 1.23A 2okcA-5bwdA:
undetectable		 2okcA-5bwdA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5erd DESMOGLEIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		4 THR A 503
ASP A 470
ASN A 446
ASP A 445
 None
CA  A 623 (-2.0A)
CA  A 626 (-4.7A)
CA  A 626 ( 2.4A)
 1.26A 2okcA-5erdA:
undetectable		 2okcA-5erdA:
23.91
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 THR A 434
THR A 415
ASP A 420
ASP A  56
 None
 1.06A 2okcA-5favA:
undetectable		 2okcA-5favA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ARG A 636
ASP A 824
ASN A 821
ASP A 764
 None
 1.21A 2okcA-5fjiA:
undetectable		 2okcA-5fjiA:
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.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 THR A 482
THR A 445
ASP A 442
ASP A 516
 None
None
None
NAG  A1501 (-3.6A)
 1.29A 2okcA-5fjiA:
undetectable		 2okcA-5fjiA:
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.
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
 1.03A 2okcA-5fyqA:
2.2		 2okcA-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.
5j5j DESMOCOLLIN-2,DESMOG
LEIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		4 THR A 501
ASP A 468
ASN A 444
ASP A 443
 None
CA  A 632 (-2.1A)
CA  A 631 ( 4.5A)
CA  A 631 ( 2.7A)
 1.26A 2okcA-5j5jA:
undetectable		 2okcA-5j5jA:
23.86
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.
5m10 CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE

(Thermocrispum
municipale) 		PF07992
(Pyr_redox_2) 		4 THR A 210
THR A 186
ASN A 150
ASP A 383
 NAP  A 602 (-3.5A)
NAP  A 602 (-4.3A)
None
None
 0.90A 2okcA-5m10A:
3.1		 2okcA-5m10A:
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.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 THR A1875
THR A1975
ASP A1989
ASP A1991
 None
 1.24A 2okcA-5m5pA:
2.2		 2okcA-5m5pA:
12.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mzs FERRIC ENTEROBACTIN
RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 4 THR A 266
ARG A  68
ASP A 331
ASN A 333
 None
 1.17A 2okcA-5mzsA:
undetectable		 2okcA-5mzsA:
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.
5npy FLAGELLAR BASAL BODY
PROTEIN

(Helicobacter
pylori) 		no annotation 4 THR A 244
ARG A 246
ASN A 200
ASP A 203
 None
 1.20A 2okcA-5npyA:
undetectable		 2okcA-5npyA:
22.59
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.
5o8x SOLUBLE LYTIC
TRANSGLYCOSYLASE B

(Pseudomonas
aeruginosa) 		no annotation 4 THR A 158
ASP A 120
ASN A  39
ASP A   6
 None
 1.24A 2okcA-5o8xA:
undetectable		 2okcA-5o8xA:
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.
5szp PROTOCADHERIN GAMMA
B7

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 THR A 193
ASP A 186
ASN A 135
ASP A  95
 MAN  A 510 ( 1.9A)
CA  A 503 (-3.5A)
None
CA  A 502 (-3.3A)
 1.33A 2okcA-5szpA:
undetectable		 2okcA-5szpA:
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.
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)
 1.04A 2okcA-5w7kA:
12.6		 2okcA-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)
 1.01A 2okcA-5w7mA:
12.5		 2okcA-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.
5w7p OXAC

(Penicillium
oxalicum) 		no annotation 4 THR A 250
ARG A 251
ASP A 269
ASP A 292
 None
None
SAM  A 501 (-2.7A)
SAM  A 501 (-3.4A)
 1.32A 2okcA-5w7pA:
8.5		 2okcA-5w7pA:
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.
5wtk CRISPR-ASSOCIATED
ENDORIBONUCLEASE
C2C2

(Leptotrichia
shahii) 		no annotation 4 ARG A 507
THR A 868
ASN A 665
ASP A 666
 None
 1.22A 2okcA-5wtkA:
undetectable		 2okcA-5wtkA:
14.26
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.
5x8h SHORT-CHAIN
DEHYDROGENASE
REDUCTASE

(Chryseobacterium
sp. CA49) 		no annotation 4 THR A  12
ASP A  37
ASN A  39
ASP A  41
 None
 1.30A 2okcA-5x8hA:
5.6		 2okcA-5x8hA:
22.25
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.
5xya -

(-) 		no annotation 4 THR A1181
ASP A1198
ASN A1192
ASP A1285
 None
CA  A1705 (-3.5A)
CA  A1705 (-1.9A)
None
 1.13A 2okcA-5xyaA:
undetectable		 2okcA-5xyaA:
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.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 4 THR A 230
THR A 235
ASN A  61
ASP A  60
 INS  A 301 (-4.7A)
None
None
None
 1.28A 2okcA-5ysqA:
2.8		 2okcA-5ysqA:
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.
6bhu MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		no annotation 4 THR A1489
THR A1482
ASP A1453
ASP A1375
 None
None
MG  A1604 ( 4.1A)
None
 1.28A 2okcA-6bhuA:
undetectable		 2okcA-6bhuA:
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 2okcA-6brrA:
6.6		 2okcA-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.
6bwf -

(-) 		no annotation 4 ARG A 385
ASP A 576
ASN A 579
ASP A 582
 None
 0.99A 2okcA-6bwfA:
undetectable		 2okcA-6bwfA:
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.
6crj NORWALK VIRUS, MNV-1
CAPSID PROTEIN
CHIMERA

(Norwalk virus) 		no annotation 4 THR B 196
THR B 119
ASN B  74
ASP B  78
 None
 1.27A 2okcA-6crjB:
undetectable		 2okcA-6crjB:
undetectable