SIMILAR PATTERNS OF AMINO ACIDS FOR 2OKC_A_SAMA500_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.
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