SIMILAR PATTERNS OF AMINO ACIDS FOR 2VMY_A_GLYA502_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cj0 PROTEIN (SERINE
HYDROXYMETHYLTRANSFE
RASE)

(Oryctolagus
cuniculus) 		PF00464
(SHMT) 		5 SER A  35
HIS A 126
HIS A 203
LYS A 229
ARG A 363
 None
PLP  A2291 ( 3.8A)
PLP  A2291 (-4.0A)
PLP  A2291 (-1.4A)
None
 0.72A 2vmyA-1cj0A:
51.2
2vmyB-1cj0A:
51.2		 2vmyA-1cj0A:
45.06
2vmyB-1cj0A:
45.06
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.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT
METHYL-COENZYME M
REDUCTASE I GAMMA
SUBUNIT

(Methanopyrus
kandleri;
Methanopyrus
kandleri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02240
(MCR_gamma) 		4 SER C 122
HIS C 160
HIS C 162
ARG A 404
 None
 1.43A 2vmyA-1e6vC:
undetectable
2vmyB-1e6vC:
undetectable		 2vmyA-1e6vC:
21.36
2vmyB-1e6vC:
21.36
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA
METHYL-COENZYME M
REDUCTASE SUBUNIT
GAMMA

(Methanosarcina
barkeri;
Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02240
(MCR_gamma) 		4 SER C3119
HIS C3157
HIS C3159
ARG A1421
 None
 1.33A 2vmyA-1e6yC:
undetectable
2vmyB-1e6yC:
undetectable		 2vmyA-1e6yC:
19.95
2vmyB-1e6yC:
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.
1fc4 2-AMINO-3-KETOBUTYRA
TE CONENZYME A
LIGASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 HIS A 136
HIS A 213
LYS A 244
ARG A 368
 PLP  A1201 ( 3.4A)
PLP  A1201 ( 3.9A)
PLP  A1201 ( 2.9A)
AKB  A1200 (-2.6A)
 0.61A 2vmyA-1fc4A:
29.6
2vmyB-1fc4A:
29.4		 2vmyA-1fc4A:
26.01
2vmyB-1fc4A:
26.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Pseudomonas sp.
CF600) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		4 SER A 171
HIS A  21
HIS A 202
TYR A 291
 OXL  A3508 (-2.4A)
None
MN  A3504 ( 3.4A)
OXL  A3508 (-4.6A)
 1.46A 2vmyA-1nvmA:
2.3
2vmyB-1nvmA:
2.4		 2vmyA-1nvmA:
23.42
2vmyB-1nvmA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		4 SER A 533
HIS A  53
HIS A 535
TYR A 159
 None
 1.41A 2vmyA-1qu2A:
undetectable
2vmyB-1qu2A:
undetectable		 2vmyA-1qu2A:
18.32
2vmyB-1qu2A:
18.32
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.
1qz9 KYNURENINASE

(Pseudomonas
fluorescens) 		PF00266
(Aminotran_5) 		4 SER A  36
HIS A 204
LYS A 227
ARG A 375
 P3G  A 701 ( 2.9A)
PLP  A1227 ( 4.0A)
PLP  A1227 (-1.3A)
CL  A 601 (-3.1A)
 0.85A 2vmyA-1qz9A:
27.2
2vmyB-1qz9A:
27.2		 2vmyA-1qz9A:
23.66
2vmyB-1qz9A:
23.66
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.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		4 HIS 1 427
HIS 1 304
ARG 1 275
TYR 1  78
 MN  1 601 (-3.4A)
None
MN  1 602 ( 4.7A)
None
 1.14A 2vmyA-1wao1:
undetectable
2vmyB-1wao1:
undetectable		 2vmyA-1wao1:
23.14
2vmyB-1wao1:
23.14
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.
1z7a CONSERVED
HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF01522
(Polysacc_deac_1) 		4 HIS A 259
HIS A 126
TYR A 211
TYR A 189
 None
 1.27A 2vmyA-1z7aA:
undetectable
2vmyB-1z7aA:
undetectable		 2vmyA-1z7aA:
23.10
2vmyB-1z7aA:
23.10
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.
2bwp 5-AMINOLEVULINATE
SYNTHASE

(Rhodobacter
capsulatus) 		PF00155
(Aminotran_1_2) 		4 HIS A 142
HIS A 217
LYS A 248
ARG A 374
 PLG  A 500 (-3.4A)
PLG  A 500 (-3.8A)
PLG  A 500 (-2.7A)
PLG  A 500 ( 4.0A)
 1.11A 2vmyA-2bwpA:
28.7
2vmyB-2bwpA:
28.0		 2vmyA-2bwpA:
26.77
2vmyB-2bwpA:
26.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dkj SERINE
HYDROXYMETHYLTRANSFE
RASE

(Thermus
thermophilus) 		PF00464
(SHMT) 		5 SER A  31
HIS A 122
HIS A 200
LYS A 226
ARG A 358
 SO4  A2520 (-2.7A)
PLP  A 510 (-3.5A)
SO4  A2520 ( 4.0A)
PLP  A 510 ( 1.3A)
SO4  A2520 (-2.9A)
 0.50A 2vmyA-2dkjA:
61.7
2vmyB-2dkjA:
60.4		 2vmyA-2dkjA:
66.01
2vmyB-2dkjA:
66.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2faq PROBABLE
ATP-DEPENDENT DNA
LIGASE

(Pseudomonas
aeruginosa) 		no annotation 4 SER A 704
HIS A 651
HIS A 710
LYS A 702
 ATP  A1304 (-2.6A)
ATP  A1304 (-4.1A)
ATP  A1304 (-3.9A)
None
 1.37A 2vmyA-2faqA:
undetectable
2vmyB-2faqA:
undetectable		 2vmyA-2faqA:
22.25
2vmyB-2faqA:
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.
2fge ZINC METALLOPROTEASE
(INSULINASE FAMILY)

(Arabidopsis
thaliana) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		4 SER A 862
HIS A 863
ARG A 635
TYR A 832
 None
 1.45A 2vmyA-2fgeA:
undetectable
2vmyB-2fgeA:
undetectable		 2vmyA-2fgeA:
18.32
2vmyB-2fgeA:
18.32
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.
2fy2 CHOLINE
O-ACETYLTRANSFERASE

(Homo sapiens) 		PF00755
(Carn_acyltransf) 		4 SER A 532
ARG A 453
TYR A 529
TYR A  28
 None
 1.45A 2vmyA-2fy2A:
undetectable
2vmyB-2fy2A:
undetectable		 2vmyA-2fy2A:
21.01
2vmyB-2fy2A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ikk HYPOTHETICAL
TRANSCRIPTIONAL
REGULATOR YURK

(Bacillus
subtilis) 		PF07702
(UTRA) 		4 SER A 224
LYS A 211
TYR A 222
TYR A 148
 None
 0.85A 2vmyA-2ikkA:
undetectable
2vmyB-2ikkA:
undetectable		 2vmyA-2ikkA:
18.43
2vmyB-2ikkA:
18.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vmx SERINE
HYDROXYMETHYLTRANSFE
RASE

(Geobacillus
stearothermophilus) 		PF00464
(SHMT) 		5 SER A  31
HIS A 122
HIS A 200
LYS A 226
ARG A 357
 ALO  A 502 (-2.7A)
PLP  A 501 ( 3.4A)
ALO  A 502 ( 3.9A)
PLP  A 501 ( 3.6A)
ALO  A 502 (-3.0A)
 0.26A 2vmyA-2vmxA:
67.4
2vmyB-2vmxA:
67.7		 2vmyA-2vmxA:
100.00
2vmyB-2vmxA:
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.
2wk8 CAI-1 AUTOINDUCER
SYNTHASE

(Vibrio cholerae) 		PF00155
(Aminotran_1_2) 		4 HIS A 133
HIS A 205
LYS A 236
ARG A 358
 PLP  A 600 (-3.4A)
PLP  A 600 (-3.9A)
PLP  A 600 (-2.6A)
None
 0.84A 2vmyA-2wk8A:
28.8
2vmyB-2wk8A:
28.9		 2vmyA-2wk8A:
24.09
2vmyB-2wk8A:
24.09
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.
2xu2 UPF0271 PROTEIN
PA4511

(Pseudomonas
aeruginosa) 		PF03746
(LamB_YcsF) 		4 HIS A 232
HIS A  68
LYS A 115
TYR A 121
 CIT  A1249 (-3.7A)
CIT  A1249 (-4.4A)
CIT  A1249 (-2.7A)
CIT  A1249 ( 4.4A)
 1.21A 2vmyA-2xu2A:
undetectable
2vmyB-2xu2A:
undetectable		 2vmyA-2xu2A:
23.58
2vmyB-2xu2A:
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.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans) 		PF00149
(Metallophos) 		4 HIS A 249
HIS A  36
ARG A 391
TYR A 118
 ZN  A 601 ( 3.4A)
None
FMT  A 607 (-2.7A)
None
 1.44A 2vmyA-3c9fA:
undetectable
2vmyB-3c9fA:
undetectable		 2vmyA-3c9fA:
19.21
2vmyB-3c9fA:
19.21
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.
3cl6 PUUE ALLANTOINASE

(Pseudomonas
fluorescens) 		PF01522
(Polysacc_deac_1) 		4 HIS A 259
HIS A 126
TYR A 211
TYR A 189
 None
 1.29A 2vmyA-3cl6A:
undetectable
2vmyB-3cl6A:
undetectable		 2vmyA-3cl6A:
21.88
2vmyB-3cl6A:
21.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g8m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Escherichia
coli) 		PF00464
(SHMT) 		4 HIS A 126
HIS A 203
LYS A 229
ARG A 363
 PLP  A 418 (-4.1A)
None
PLP  A 418 (-1.5A)
None
 0.82A 2vmyA-3g8mA:
53.2
2vmyB-3g8mA:
53.2		 2vmyA-3g8mA:
58.85
2vmyB-3g8mA:
58.85
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.
3ib7 ICC PROTEIN

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		4 HIS A  98
LYS A  67
TYR A  32
TYR A 229
 ACT  A 666 ( 3.9A)
BTB  A 777 (-4.7A)
None
None
 1.49A 2vmyA-3ib7A:
undetectable
2vmyB-3ib7A:
undetectable		 2vmyA-3ib7A:
24.02
2vmyB-3ib7A:
24.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j26 CAPSID PROTEIN V20

(Mimivirus-dependent
virus Sputnik) 		no annotation 4 SER A 243
HIS A 128
ARG A 182
TYR A 157
 None
 1.47A 2vmyA-3j26A:
undetectable
2vmyB-3j26A:
undetectable		 2vmyA-3j26A:
21.10
2vmyB-3j26A:
21.10
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.
3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00561
(Abhydrolase_1) 		4 SER A 135
HIS A 259
TYR A 137
TYR A 129
 None
SO4  A 278 (-4.2A)
PG4  A 281 ( 3.4A)
PG4  A 281 (-4.4A)
 1.25A 2vmyA-3oosA:
undetectable
2vmyB-3oosA:
undetectable		 2vmyA-3oosA:
22.84
2vmyB-3oosA:
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.
3s6o POLYSACCHARIDE
DEACETYLASE FAMILY
PROTEIN

(Burkholderia
pseudomallei) 		PF01522
(Polysacc_deac_1) 		4 HIS A 263
HIS A 127
TYR A 215
TYR A 190
 None
 1.27A 2vmyA-3s6oA:
undetectable
2vmyB-3s6oA:
undetectable		 2vmyA-3s6oA:
23.44
2vmyB-3s6oA:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sqg METHYL COENZYME M
REDUCTASE, ALPHA
SUBUNIT
METHYL-COENZYME M
REDUCTASE, GAMMA
SUBUNIT

(uncultured
archaeon;
uncultured
archaeon) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02240
(MCR_gamma) 		4 SER C 118
HIS C 156
HIS C 158
ARG A 420
 None
 1.37A 2vmyA-3sqgC:
undetectable
2vmyB-3sqgC:
undetectable		 2vmyA-3sqgC:
23.28
2vmyB-3sqgC:
23.28
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.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 SER A 568
HIS A 525
HIS A 567
ARG A 574
 None
MTT  A 802 (-3.9A)
None
None
 1.20A 2vmyA-3wdjA:
undetectable
2vmyB-3wdjA:
undetectable		 2vmyA-3wdjA:
20.95
2vmyB-3wdjA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 SER A  66
HIS A 191
HIS A 100
ARG A 189
 None
 1.18A 2vmyA-4b92A:
undetectable
2vmyB-4b92A:
undetectable		 2vmyA-4b92A:
21.70
2vmyB-4b92A:
21.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bhd SERINE
HYDROXYMETHYLTRANSFE
RASE

(Methanocaldococcus
jannaschii) 		PF00464
(SHMT) 		5 SER A  30
HIS A 121
HIS A 199
LYS A 226
ARG A 363
 None
 0.69A 2vmyA-4bhdA:
49.2
2vmyB-4bhdA:
49.0		 2vmyA-4bhdA:
37.47
2vmyB-4bhdA:
37.47
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.
4ccw CARBOXYL ESTERASE NP

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		4 SER A  67
HIS A  62
TYR A  22
TYR A  18
 None
 1.23A 2vmyA-4ccwA:
undetectable
2vmyB-4ccwA:
undetectable		 2vmyA-4ccwA:
23.00
2vmyB-4ccwA:
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.
4fye SIDF, INHIBITOR OF
GROWTH FAMILY,
MEMBER 3

(Legionella
pneumophila) 		no annotation 4 SER A 267
HIS A 263
LYS A 643
TYR A 203
 None
 1.45A 2vmyA-4fyeA:
undetectable
2vmyB-4fyeA:
undetectable		 2vmyA-4fyeA:
19.63
2vmyB-4fyeA:
19.63
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.
4gk8 HISTIDINOL-PHOSPHATA
SE

(Lactococcus
lactis) 		PF02811
(PHP) 		4 HIS A   9
HIS A 230
ARG A 197
TYR A 157
 ZN  A 303 (-3.3A)
ZN  A 302 ( 3.3A)
GK8  A 305 (-3.3A)
GK8  A 305 (-4.6A)
 1.45A 2vmyA-4gk8A:
undetectable
2vmyB-4gk8A:
undetectable		 2vmyA-4gk8A:
20.53
2vmyB-4gk8A:
20.53
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		4 HIS A 623
LYS A 726
TYR A 131
TYR A 134
 CME  A 974 ( 4.2A)
CME  A 974 ( 3.3A)
None
None
 1.21A 2vmyA-4lglA:
25.9
2vmyB-4lglA:
25.7		 2vmyA-4lglA:
17.65
2vmyB-4lglA:
17.65
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.
4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Thermomonospora
curvata) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		4 SER A 175
HIS A  25
HIS A 206
TYR A 295
 PYR  A 402 (-2.6A)
None
MG  A 404 ( 3.4A)
PYR  A 402 (-4.4A)
 1.45A 2vmyA-4lrsA:
undetectable
2vmyB-4lrsA:
2.3		 2vmyA-4lrsA:
23.20
2vmyB-4lrsA:
23.20
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.
4mv3 BIOTIN CARBOXYLASE

(Haemophilus
influenzae) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 SER A  33
HIS A  41
TYR A  60
TYR A 381
 None
 1.42A 2vmyA-4mv3A:
undetectable
2vmyB-4mv3A:
2.9		 2vmyA-4mv3A:
21.17
2vmyB-4mv3A:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o6z SERINE
HYDROXYMETHYLTRANSFE
RASE

(Plasmodium
falciparum) 		PF00464
(SHMT) 		4 SER A  34
HIS A 129
HIS A 211
LYS A 237
 None
PLP  A 701 (-3.6A)
PLP  A 701 (-4.0A)
PLP  A 701 (-1.5A)
 0.54A 2vmyA-4o6zA:
56.0
2vmyB-4o6zA:
56.2		 2vmyA-4o6zA:
39.26
2vmyB-4o6zA:
39.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o6z SERINE
HYDROXYMETHYLTRANSFE
RASE

(Plasmodium
falciparum) 		PF00464
(SHMT) 		4 SER A  34
HIS A 211
LYS A 237
ARG A 371
 None
PLP  A 701 (-4.0A)
PLP  A 701 (-1.5A)
None
 0.67A 2vmyA-4o6zA:
56.0
2vmyB-4o6zA:
56.2		 2vmyA-4o6zA:
39.26
2vmyB-4o6zA:
39.26
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.
4psu ALPHA/BETA HYDROLASE

(Rhodopseudomonas
palustris) 		PF12697
(Abhydrolase_6) 		4 SER A  55
HIS A 271
HIS A 274
TYR A 199
 None
None
None
12P  A 301 ( 4.7A)
 1.15A 2vmyA-4psuA:
undetectable
2vmyB-4psuA:
undetectable		 2vmyA-4psuA:
22.09
2vmyB-4psuA:
22.09
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.
4rph UDP-GALACTOPYRANOSE
MUTASE

(Mycobacterium
tuberculosis) 		no annotation 4 HIS B  65
HIS B 294
ARG B 292
TYR B 328
 FAD  B 401 (-3.5A)
None
GDU  B 402 (-2.7A)
GDU  B 402 ( 4.6A)
 1.32A 2vmyA-4rphB:
undetectable
2vmyB-4rphB:
undetectable		 2vmyA-4rphB:
21.91
2vmyB-4rphB:
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.
4tmc OLD YELLOW ENZYME

(Kluyveromyces
marxianus) 		PF00724
(Oxidored_FMN) 		4 SER A 391
ARG A 359
TYR A 396
TYR A   3
 None
 1.49A 2vmyA-4tmcA:
undetectable
2vmyB-4tmcA:
undetectable		 2vmyA-4tmcA:
22.94
2vmyB-4tmcA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v2x ENDO-BETA-1,4-GLUCAN
ASE (CELLULASE B)

(Bacillus
halodurans) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		4 SER A 178
HIS A 140
HIS A 188
ARG A 185
 None
 1.45A 2vmyA-4v2xA:
undetectable
2vmyB-4v2xA:
undetectable		 2vmyA-4v2xA:
20.23
2vmyB-4v2xA:
20.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wxb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Streptococcus
thermophilus) 		PF00464
(SHMT) 		4 HIS A 120
HIS A 198
LYS A 224
ARG A 357
 None
CAC  A 502 (-4.0A)
CIT  A 501 ( 2.8A)
CAC  A 502 (-3.1A)
 1.34A 2vmyA-4wxbA:
58.1
2vmyB-4wxbA:
58.0		 2vmyA-4wxbA:
58.87
2vmyB-4wxbA:
58.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wxb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Streptococcus
thermophilus) 		PF00464
(SHMT) 		4 SER A  29
HIS A 198
LYS A 224
ARG A 357
 CAC  A 502 (-3.2A)
CAC  A 502 (-4.0A)
CIT  A 501 ( 2.8A)
CAC  A 502 (-3.1A)
 0.37A 2vmyA-4wxbA:
58.1
2vmyB-4wxbA:
58.0		 2vmyA-4wxbA:
58.87
2vmyB-4wxbA:
58.87
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.
4yu5 IMMUNE INHIBITOR A,
METALLOPROTEASE

(Bacillus cereus) 		PF05547
(Peptidase_M6) 		4 SER A 337
HIS A 258
HIS A 335
ARG A 267
 None
 1.31A 2vmyA-4yu5A:
undetectable
2vmyB-4yu5A:
undetectable		 2vmyA-4yu5A:
20.16
2vmyB-4yu5A:
20.16
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.
4zpr HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA

(Mus musculus) 		PF00989
(PAS)
PF08447
(PAS_3) 		4 HIS B 246
HIS B 291
TYR B 279
TYR B 305
 None
 1.33A 2vmyA-4zprB:
undetectable
2vmyB-4zprB:
undetectable		 2vmyA-4zprB:
20.69
2vmyB-4zprB:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA
METHYL-COENZYME M
REDUCTASE II,
SUBUNIT BETA

(Methanothermobacter
marburgensis;
Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02240
(MCR_gamma) 		4 SER C 121
HIS C 159
HIS C 161
ARG A 403
 None
 1.30A 2vmyA-5a8rC:
undetectable
2vmyB-5a8rC:
undetectable		 2vmyA-5a8rC:
23.00
2vmyB-5a8rC:
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.
5eqd UDP-GALACTOPYRANOSE
MUTASE

(Mycolicibacterium
smegmatis) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		4 HIS A  74
HIS A 303
ARG A 301
TYR A 337
 FAD  A 501 (-3.7A)
None
None
None
 1.34A 2vmyA-5eqdA:
undetectable
2vmyB-5eqdA:
undetectable		 2vmyA-5eqdA:
23.28
2vmyB-5eqdA:
23.28
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.
5jjt SERINE/THREONINE-PRO
TEIN PHOSPHATASE 5

(Arabidopsis
thaliana) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5)
PF13431
(TPR_17) 		4 HIS A 413
HIS A 290
ARG A 261
TYR A  63
 NI  A 501 (-3.6A)
NI  A 503 (-4.1A)
NI  A 503 (-3.5A)
None
 1.13A 2vmyA-5jjtA:
undetectable
2vmyB-5jjtA:
undetectable		 2vmyA-5jjtA:
21.96
2vmyB-5jjtA:
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.
5kzt PEPTIDE/NICKEL
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

(Listeria
monocytogenes) 		PF00496
(SBP_bac_5) 		4 SER A 463
ARG A 503
TYR A 459
TYR A 186
 None
 1.41A 2vmyA-5kztA:
undetectable
2vmyB-5kztA:
undetectable		 2vmyA-5kztA:
20.07
2vmyB-5kztA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5opj RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 SER A 420
HIS A 169
HIS A  93
TYR A 344
 ZN  A 902 ( 4.8A)
None
None
None
 0.92A 2vmyA-5opjA:
undetectable
2vmyB-5opjA:
undetectable		 2vmyA-5opjA:
undetectable
2vmyB-5opjA:
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.
5txr 5-AMINOLEVULINATE
SYNTHASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		no annotation 4 HIS B 209
HIS B 284
LYS B 337
ARG B 461
 PLP  B 605 (-3.4A)
PLP  B 605 (-3.6A)
PLP  B 605 (-2.9A)
None
 1.23A 2vmyA-5txrB:
25.3
2vmyB-5txrB:
24.9		 2vmyA-5txrB:
undetectable
2vmyB-5txrB:
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.
5u4o ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bacillus
anthracis) 		PF00496
(SBP_bac_5) 		4 SER A 510
ARG A  82
TYR A 512
TYR A  72
 None
 1.38A 2vmyA-5u4oA:
undetectable
2vmyB-5u4oA:
undetectable		 2vmyA-5u4oA:
21.44
2vmyB-5u4oA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5usl IMV MEMBRANE PROTEIN

(Vaccinia virus) 		no annotation 4 SER X  65
HIS X  67
ARG X  44
TYR X 104
 None
 1.28A 2vmyA-5uslX:
undetectable
2vmyB-5uslX:
undetectable		 2vmyA-5uslX:
18.78
2vmyB-5uslX:
18.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v7i SERINE
HYDROXYMETHYLTRANSFE
RASE, MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 SER A  76
HIS A 171
HIS A 254
ARG A 425
 None
LLP  A 280 (-3.3A)
LLP  A 280 ( 4.0A)
8Z1  A 601 ( 3.8A)
 0.27A 2vmyA-5v7iA:
52.1
2vmyB-5v7iA:
52.1		 2vmyA-5v7iA:
43.79
2vmyB-5v7iA:
43.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vmb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Acinetobacter
baumannii) 		PF00464
(SHMT) 		4 SER A  34
HIS A 203
LYS A 229
ARG A 362
 None
 0.47A 2vmyA-5vmbA:
55.5
2vmyB-5vmbA:
55.7		 2vmyA-5vmbA:
57.18
2vmyB-5vmbA:
57.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xmr SERINE
HYDROXYMETHYLTRANSFE
RASE

(Plasmodium
vivax) 		no annotation 5 SER A  34
HIS A 129
HIS A 211
LYS A 237
ARG A 371
 PLG  A 501 (-2.4A)
PLG  A 501 ( 3.5A)
PLG  A 501 (-3.8A)
PLG  A 501 (-3.4A)
PLG  A 501 (-3.1A)
 0.40A 2vmyA-5xmrA:
57.2
2vmyB-5xmrA:
57.3		 2vmyA-5xmrA:
41.94
2vmyB-5xmrA:
41.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b9j FAB VV138 HEAVY
CHAIN

(Homo sapiens) 		no annotation 4 SER H 100
HIS H 105
LYS H  98
TYR H  32
 None
 1.49A 2vmyA-6b9jH:
undetectable
2vmyB-6b9jH:
undetectable		 2vmyA-6b9jH:
19.85
2vmyB-6b9jH:
19.85
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		no annotation 4 SER A 220
HIS A 222
ARG A  70
TYR A 191
 None
 1.24A 2vmyA-6c66A:
undetectable
2vmyB-6c66A:
undetectable		 2vmyA-6c66A:
undetectable
2vmyB-6c66A:
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.
6ccz SERINE
HYDROXYMETHYLTRANSFE
RASE

(Medicago
truncatula) 		no annotation 4 SER A 114
HIS A 209
HIS A 292
ARG A 454
 ACT  A 612 (-2.3A)
LLP  A 318 (-3.5A)
LLP  A 318 (-3.4A)
ACT  A 612 (-2.9A)
 0.63A 2vmyA-6cczA:
57.3
2vmyB-6cczA:
57.4		 2vmyA-6cczA:
undetectable
2vmyB-6cczA:
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.
6chj DIACYLGLYCEROL
O-ACYLTRANSFERASE

(Marinobacter
hydrocarbonoclasticus) 		no annotation 4 HIS A 106
HIS A 118
LYS A 133
ARG A  83
 None
None
None
CL  A 501 ( 4.7A)
 1.37A 2vmyA-6chjA:
undetectable
2vmyB-6chjA:
undetectable		 2vmyA-6chjA:
undetectable
2vmyB-6chjA:
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.
6e0s -

(-) 		no annotation 4 SER A  90
HIS A 237
HIS A  91
TYR A 191
 None
ZN  A 302 (-4.3A)
ZN  A 301 (-3.3A)
None
 1.42A 2vmyA-6e0sA:
undetectable
2vmyB-6e0sA:
undetectable		 2vmyA-6e0sA:
undetectable
2vmyB-6e0sA:
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.
6eu2 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC4

(Saccharomyces
cerevisiae) 		no annotation 4 SER N 372
HIS N 366
LYS N 370
ARG N 364
 None
 1.02A 2vmyA-6eu2N:
undetectable
2vmyB-6eu2N:
undetectable		 2vmyA-6eu2N:
undetectable
2vmyB-6eu2N:
undetectable