SIMILAR PATTERNS OF AMINO ACIDS FOR 2VMY_B_GLYB502_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.
1bwd PROTEIN
(INOSAMINE-PHOSPHATE
AMIDINOTRANSFERASE)

(Streptomyces
griseus) 		no annotation 4 TYR A 134
HIS A 102
HIS A  87
ARG A  85
 None
 1.31A 2vmyA-1bwdA:
undetectable
2vmyB-1bwdA:
undetectable		 2vmyA-1bwdA:
21.41
2vmyB-1bwdA:
21.41
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) 		6 SER A  35
HIS A 126
SER A 175
HIS A 203
LYS A 229
ARG A 363
 None
PLP  A2291 ( 3.8A)
PLP  A2291 (-2.9A)
PLP  A2291 (-4.0A)
PLP  A2291 (-1.4A)
None
 0.69A 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.
1dcn DELTA 2 CRYSTALLIN

(Anas
platyrhynchos) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		4 TYR A 265
SER A 177
HIS A 178
LYS A 257
 None
 1.25A 2vmyA-1dcnA:
undetectable
2vmyB-1dcnA:
undetectable		 2vmyA-1dcnA:
23.11
2vmyB-1dcnA:
23.11
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.
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) 		5 SER C3119
HIS C3157
SER C3160
HIS C3159
ARG A1421
 None
 1.36A 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) 		5 HIS A 136
SER A 185
HIS A 213
LYS A 244
ARG A 368
 PLP  A1201 ( 3.4A)
AKB  A1200 ( 2.9A)
PLP  A1201 ( 3.9A)
PLP  A1201 ( 2.9A)
AKB  A1200 (-2.6A)
 0.97A 2vmyA-1fc4A:
29.6
2vmyB-1fc4A:
29.5		 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.
1hkh GAMMA LACTAMASE

(Microbacterium) 		PF00561
(Abhydrolase_1) 		4 TYR A 163
TYR A 167
SER A 185
SER A  38
 None
 0.88A 2vmyA-1hkhA:
undetectable
2vmyB-1hkhA:
undetectable		 2vmyA-1hkhA:
22.73
2vmyB-1hkhA:
22.73
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.
1jmz AMINE DEHYDROGENASE

(Pseudomonas
putida) 		PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII) 		4 SER A  28
HIS A  16
SER A  25
HIS A  29
 None
HEC  A1002 (-3.2A)
None
None
 1.33A 2vmyA-1jmzA:
undetectable
2vmyB-1jmzA:
undetectable		 2vmyA-1jmzA:
20.82
2vmyB-1jmzA:
20.82
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.
1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Homo sapiens) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		4 TYR A 104
SER A  12
SER A  10
LYS A  14
 XMP  A 901 (-4.1A)
XMP  A 901 (-2.6A)
XMP  A 901 (-3.0A)
XMP  A 901 (-3.4A)
 1.34A 2vmyA-1pl0A:
undetectable
2vmyB-1pl0A:
undetectable		 2vmyA-1pl0A:
21.42
2vmyB-1pl0A:
21.42
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.
1ql4 CYTOCHROME C552

(Paracoccus
denitrificans) 		PF00034
(Cytochrom_C) 		4 TYR A  46
HIS A  18
HIS A  29
ARG A  36
 HEC  A 101 (-4.5A)
HEC  A 101 (-3.2A)
None
HEC  A 101 (-4.0A)
 1.34A 2vmyA-1ql4A:
undetectable
2vmyB-1ql4A:
undetectable		 2vmyA-1ql4A:
14.82
2vmyB-1ql4A:
14.82
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.
1vdh MUCONOLACTONE
ISOMERASE-LIKE
PROTEIN

(Thermus
thermophilus) 		PF06778
(Chlor_dismutase) 		4 TYR A 145
HIS A 172
SER A 223
ARG A 218
 None
 1.23A 2vmyA-1vdhA:
undetectable
2vmyB-1vdhA:
undetectable		 2vmyA-1vdhA:
22.44
2vmyB-1vdhA:
22.44
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.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		4 TYR 1  78
HIS 1 427
HIS 1 304
ARG 1 275
 None
MN  1 601 (-3.4A)
None
MN  1 602 ( 4.7A)
 1.13A 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.
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)
 1.17A 2vmyA-2bwpA:
28.7
2vmyB-2bwpA:
27.9		 2vmyA-2bwpA:
26.77
2vmyB-2bwpA:
26.77
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.
2bwp 5-AMINOLEVULINATE
SYNTHASE

(Rhodobacter
capsulatus) 		PF00155
(Aminotran_1_2) 		4 SER A 189
HIS A 217
LYS A 248
ARG A 374
 PLG  A 500 (-3.6A)
PLG  A 500 (-3.8A)
PLG  A 500 (-2.7A)
PLG  A 500 ( 4.0A)
 1.27A 2vmyA-2bwpA:
28.7
2vmyB-2bwpA:
27.9		 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) 		6 SER A  31
HIS A 122
SER A 172
HIS A 200
LYS A 226
ARG A 358
 SO4  A2520 (-2.7A)
PLP  A 510 (-3.5A)
PLP  A 510 ( 3.2A)
SO4  A2520 ( 4.0A)
PLP  A 510 ( 1.3A)
SO4  A2520 (-2.9A)
 0.49A 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
 1.30A 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.
2fz4 DNA REPAIR PROTEIN
RAD25

(Archaeoglobus
fulgidus) 		PF04851
(ResIII) 		4 TYR A  28
SER A  51
LYS A  37
ARG A  55
 None
 1.34A 2vmyA-2fz4A:
undetectable
2vmyB-2fz4A:
undetectable		 2vmyA-2fz4A:
22.72
2vmyB-2fz4A:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ikk HYPOTHETICAL
TRANSCRIPTIONAL
REGULATOR YURK

(Bacillus
subtilis) 		PF07702
(UTRA) 		4 TYR A 222
TYR A 148
SER A 224
LYS A 211
 None
 0.79A 2vmyA-2ikkA:
undetectable
2vmyB-2ikkA:
undetectable		 2vmyA-2ikkA:
18.43
2vmyB-2ikkA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		4 TYR A 443
TYR A 444
SER A 435
SER A 514
 None
 1.14A 2vmyA-2iwbA:
undetectable
2vmyB-2iwbA:
undetectable		 2vmyA-2iwbA:
20.59
2vmyB-2iwbA:
20.59
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.
2l2b STICHOLYSIN-2

(Stichodactyla
helianthus) 		PF06369
(Anemone_cytotox) 		4 TYR A 135
TYR A 131
SER A 103
SER A  52
 None
 1.19A 2vmyA-2l2bA:
undetectable
2vmyB-2l2bA:
undetectable		 2vmyA-2l2bA:
17.33
2vmyB-2l2bA:
17.33
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.
2n03 PLECTIN

(Homo sapiens) 		PF00681
(Plectin) 		4 TYR A4517
HIS A4401
SER A4400
HIS A4395
 None
 1.33A 2vmyA-2n03A:
undetectable
2vmyB-2n03A:
undetectable		 2vmyA-2n03A:
20.40
2vmyB-2n03A:
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.
2qlz TRANSCRIPTION FACTOR
PF0095

(Pyrococcus
furiosus) 		PF12840
(HTH_20) 		4 SER A  19
SER A  32
HIS A  20
ARG A 187
 None
 1.12A 2vmyA-2qlzA:
undetectable
2vmyB-2qlzA:
undetectable		 2vmyA-2qlzA:
18.63
2vmyB-2qlzA:
18.63
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.
2qru UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF07859
(Abhydrolase_3) 		4 TYR A 174
TYR A  38
HIS A 247
SER A 102
 PO4  A 273 ( 4.6A)
EDO  A 278 ( 4.6A)
PO4  A 273 (-4.0A)
PO4  A 273 (-2.3A)
 1.18A 2vmyA-2qruA:
undetectable
2vmyB-2qruA:
undetectable		 2vmyA-2qruA:
20.98
2vmyB-2qruA:
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.
2rch CYTOCHROME P450 74A

(Arabidopsis
thaliana) 		PF00067
(p450) 		4 SER A 512
HIS A 345
SER A 494
ARG A 514
 None
 1.31A 2vmyA-2rchA:
undetectable
2vmyB-2rchA:
undetectable		 2vmyA-2rchA:
21.88
2vmyB-2rchA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rgy TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Paraburkholderia
phymatum) 		PF13377
(Peripla_BP_3) 		4 TYR A 305
HIS A 318
SER A 352
ARG A 354
 None
 1.00A 2vmyA-2rgyA:
2.7
2vmyB-2rgyA:
2.7		 2vmyA-2rgyA:
21.62
2vmyB-2rgyA:
21.62
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) 		6 SER A  31
HIS A 122
SER A 172
HIS A 200
LYS A 226
ARG A 357
 ALO  A 502 (-2.7A)
PLP  A 501 ( 3.4A)
ALO  A 502 (-3.9A)
ALO  A 502 ( 3.9A)
PLP  A 501 ( 3.6A)
ALO  A 502 (-3.0A)
 0.54A 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.
2wj3 1-H-3-HYDROXY-4-OXOQ
UINALDINE
2,4-DIOXYGENASE

(Paenarthrobacter
nitroguajacolicus) 		PF00561
(Abhydrolase_1) 		4 TYR A 227
HIS A 102
SER A 101
HIS A 251
 None
 1.27A 2vmyA-2wj3A:
undetectable
2vmyB-2wj3A:
undetectable		 2vmyA-2wj3A:
19.57
2vmyB-2wj3A:
19.57
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.
2wk8 CAI-1 AUTOINDUCER
SYNTHASE

(Vibrio cholerae) 		PF00155
(Aminotran_1_2) 		5 HIS A 133
SER A 177
HIS A 205
LYS A 236
ARG A 358
 PLP  A 600 (-3.4A)
PLP  A 600 (-3.5A)
PLP  A 600 (-3.9A)
PLP  A 600 (-2.6A)
None
 1.02A 2vmyA-2wk8A:
28.9
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.
2xhg TYROCIDINE
SYNTHETASE A

(Brevibacillus
brevis) 		PF00668
(Condensation) 		4 SER A 322
HIS A 463
SER A 459
LYS A 326
 None
 1.15A 2vmyA-2xhgA:
undetectable
2vmyB-2xhgA:
undetectable		 2vmyA-2xhgA:
22.49
2vmyB-2xhgA:
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.
2xu2 UPF0271 PROTEIN
PA4511

(Pseudomonas
aeruginosa) 		PF03746
(LamB_YcsF) 		4 TYR A 121
HIS A 232
HIS A  68
LYS A 115
 CIT  A1249 ( 4.4A)
CIT  A1249 (-3.7A)
CIT  A1249 (-4.4A)
CIT  A1249 (-2.7A)
 1.16A 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.
3a2b SERINE
PALMITOYLTRANSFERASE

(Sphingobacterium
multivorum) 		PF00155
(Aminotran_1_2) 		4 HIS A 138
SER A 185
HIS A 213
LYS A 244
 PLP  A 400 ( 3.2A)
PLP  A 400 ( 4.2A)
PLP  A 400 (-4.1A)
PLP  A 400 ( 3.3A)
 1.07A 2vmyA-3a2bA:
29.2
2vmyB-3a2bA:
28.6		 2vmyA-3a2bA:
25.74
2vmyB-3a2bA:
25.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3chv PROKARYOTIC DOMAIN
OF UNKNOWN FUNCTION
(DUF849) WITH A TIM
BARREL FOLD

(Ruegeria
pomeroyi) 		PF05853
(BKACE) 		4 TYR A 123
SER A 112
HIS A  51
SER A 110
 None
None
ZN  A 302 (-3.2A)
None
 1.21A 2vmyA-3chvA:
undetectable
2vmyB-3chvA:
undetectable		 2vmyA-3chvA:
20.48
2vmyB-3chvA:
20.48
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.
3dzb PREPHENATE
DEHYDROGENASE

(Streptococcus
thermophilus) 		PF02153
(PDH) 		4 SER A  99
HIS A 193
SER A 189
HIS A 190
 None
 1.14A 2vmyA-3dzbA:
3.7
2vmyB-3dzbA:
3.3		 2vmyA-3dzbA:
22.14
2vmyB-3dzbA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fa5 PROTEIN OF UNKNOWN
FUNCTION (DUF849)

(Paracoccus
denitrificans) 		PF05853
(BKACE) 		4 TYR A 123
SER A 112
HIS A  51
SER A 110
 None
None
MG  A 282 (-3.4A)
None
 1.30A 2vmyA-3fa5A:
2.0
2vmyB-3fa5A:
2.1		 2vmyA-3fa5A:
21.45
2vmyB-3fa5A:
21.45
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.
3fle SE_1780 PROTEIN

(Staphylococcus
epidermidis) 		PF06028
(DUF915) 		4 SER A  60
HIS A 269
SER A 270
HIS A 273
 None
 1.09A 2vmyA-3fleA:
undetectable
2vmyB-3fleA:
undetectable		 2vmyA-3fleA:
19.05
2vmyB-3fleA:
19.05
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.
3g0i EPOXIDE HYDROLASE

(Aspergillus
niger) 		PF06441
(EHN) 		4 SER A 120
HIS A  97
SER A 148
HIS A 115
 None
 1.26A 2vmyA-3g0iA:
undetectable
2vmyB-3g0iA:
undetectable		 2vmyA-3g0iA:
23.08
2vmyB-3g0iA:
23.08
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
 0.90A 2vmyA-3g8mA:
53.2
2vmyB-3g8mA:
53.2		 2vmyA-3g8mA:
58.85
2vmyB-3g8mA:
58.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h7f SERINE
HYDROXYMETHYLTRANSFE
RASE 1

(Mycobacterium
tuberculosis) 		PF00464
(SHMT) 		4 SER A  32
HIS A 123
SER A 173
HIS A 201
 None
LLP  A 227 ( 3.6A)
None
LLP  A 227 ( 4.2A)
 0.75A 2vmyA-3h7fA:
54.1
2vmyB-3h7fA:
54.0		 2vmyA-3h7fA:
55.15
2vmyB-3h7fA:
55.15
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.
3iay DNA POLYMERASE DELTA
CATALYTIC SUBUNIT

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 TYR A 805
TYR A 808
SER A 765
LYS A 803
 None
None
CA  A   2 ( 4.6A)
None
 0.85A 2vmyA-3iayA:
undetectable
2vmyB-3iayA:
undetectable		 2vmyA-3iayA:
18.42
2vmyB-3iayA:
18.42
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.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 HIS B 467
SER B  75
HIS B 360
ARG B 282
 CO  B 563 ( 3.1A)
CO  B 563 (-1.8A)
3PG  B 564 ( 4.2A)
3PG  B 564 ( 2.8A)
 1.33A 2vmyA-3igzB:
undetectable
2vmyB-3igzB:
undetectable		 2vmyA-3igzB:
22.01
2vmyB-3igzB:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kar KINESIN-LIKE PROTEIN
KAR3

(Saccharomyces
cerevisiae) 		PF00225
(Kinesin) 		4 SER A 601
HIS A 595
SER A 596
ARG A 585
 None
 1.29A 2vmyA-3karA:
undetectable
2vmyB-3karA:
undetectable		 2vmyA-3karA:
19.81
2vmyB-3karA:
19.81
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.
3m97 CYTOCHROME C-552

(Paracoccus
denitrificans) 		PF00034
(Cytochrom_C) 		4 TYR X  86
HIS X  58
HIS X  69
ARG X  76
 HEC  X 141 (-4.5A)
HEC  X 141 (-3.2A)
ZN  X 142 (-3.2A)
HEC  X 141 (-3.9A)
 1.32A 2vmyA-3m97X:
undetectable
2vmyB-3m97X:
undetectable		 2vmyA-3m97X:
17.50
2vmyB-3m97X:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3npi TETR FAMILY
REGULATORY PROTEIN

(Corynebacterium
diphtheriae) 		PF00440
(TetR_N) 		4 TYR A 223
SER A 217
SER A 213
ARG A 156
 None
 1.22A 2vmyA-3npiA:
undetectable
2vmyB-3npiA:
undetectable		 2vmyA-3npiA:
20.48
2vmyB-3npiA:
20.48
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.
3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00561
(Abhydrolase_1) 		4 TYR A 137
TYR A 129
SER A 135
HIS A 259
 PG4  A 281 ( 3.4A)
PG4  A 281 (-4.4A)
None
SO4  A 278 (-4.2A)
 1.30A 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.
3slt SERINE PROTEASE ESPP

(Escherichia
coli) 		PF03797
(Autotransporter) 		4 TYR A1132
SER A1089
HIS A1128
SER A1102
 None
 1.31A 2vmyA-3sltA:
undetectable
2vmyB-3sltA:
undetectable		 2vmyA-3sltA:
23.94
2vmyB-3sltA:
23.94
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.
3vdg PROBABLE GLUCARATE
DEHYDRATASE

(Mycolicibacterium
smegmatis) 		PF13378
(MR_MLE_C) 		4 TYR A 150
SER A 322
HIS A  30
SER A 324
 None
None
ACT  A 504 (-4.0A)
None
 1.20A 2vmyA-3vdgA:
undetectable
2vmyB-3vdgA:
undetectable		 2vmyA-3vdgA:
25.00
2vmyB-3vdgA:
25.00
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.
3w04 DWARF 88 ESTERASE

(Oryza sativa) 		PF12697
(Abhydrolase_6) 		4 TYR A 209
SER A 270
HIS A 146
SER A 147
 MPD  A 401 (-4.6A)
MPD  A 401 (-2.6A)
None
MPD  A 401 ( 4.7A)
 1.19A 2vmyA-3w04A:
undetectable
2vmyB-3w04A:
undetectable		 2vmyA-3w04A:
21.76
2vmyB-3w04A:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.24A 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.
4b90 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 SER A  66
HIS A 191
HIS A 100
ARG A 189
 None
 1.10A 2vmyA-4b90A:
undetectable
2vmyB-4b90A:
undetectable		 2vmyA-4b90A:
21.50
2vmyB-4b90A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.08A 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) 		6 SER A  30
HIS A 121
SER A 171
HIS A 199
LYS A 226
ARG A 363
 None
 0.95A 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 TYR A  22
TYR A  18
SER A  67
HIS A  62
 None
 1.27A 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.
4f3l BMAL1B

(Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		4 TYR B 404
SER B 418
HIS B 344
SER B 342
 None
 1.34A 2vmyA-4f3lB:
undetectable
2vmyB-4f3lB:
undetectable		 2vmyA-4f3lB:
22.30
2vmyB-4f3lB:
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.
4fk8 FERREDOXIN--NADP
REDUCTASE

(Burkholderia
thailandensis) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 TYR A 167
TYR A 170
SER A  72
ARG A 142
 None
 1.18A 2vmyA-4fk8A:
undetectable
2vmyB-4fk8A:
undetectable		 2vmyA-4fk8A:
21.95
2vmyB-4fk8A:
21.95
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		4 TYR A  13
TYR A 141
HIS A 251
SER A 278
 None
 1.23A 2vmyA-4ineA:
2.8
2vmyB-4ineA:
2.8		 2vmyA-4ineA:
23.71
2vmyB-4ineA:
23.71
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.
4iw7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Francisella
tularensis) 		PF00155
(Aminotran_1_2) 		4 HIS A 121
SER A 163
HIS A 188
LYS A 220
 None
 0.83A 2vmyA-4iw7A:
27.4
2vmyB-4iw7A:
27.3		 2vmyA-4iw7A:
22.37
2vmyB-4iw7A:
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.
4iw7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Francisella
tularensis) 		PF00155
(Aminotran_1_2) 		4 HIS A 121
SER A 163
LYS A 220
ARG A 344
 None
 0.94A 2vmyA-4iw7A:
27.4
2vmyB-4iw7A:
27.3		 2vmyA-4iw7A:
22.37
2vmyB-4iw7A:
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.
4iw7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Francisella
tularensis) 		PF00155
(Aminotran_1_2) 		4 SER A  35
HIS A 121
SER A 163
LYS A 220
 None
 1.04A 2vmyA-4iw7A:
27.4
2vmyB-4iw7A:
27.3		 2vmyA-4iw7A:
22.37
2vmyB-4iw7A:
22.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5u SERINE
HYDROXYMETHYLTRANSFE
RASE

(Rickettsia
rickettsii) 		PF00464
(SHMT) 		4 SER A  35
HIS A 126
SER A 176
HIS A 204
 LLP  A 230 ( 4.9A)
LLP  A 230 ( 3.5A)
None
LLP  A 230 ( 4.1A)
 0.68A 2vmyA-4j5uA:
60.2
2vmyB-4j5uA:
60.1		 2vmyA-4j5uA:
57.69
2vmyB-4j5uA:
57.69
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		4 TYR A 131
TYR A 134
HIS A 623
LYS A 726
 None
None
CME  A 974 ( 4.2A)
CME  A 974 ( 3.3A)
 1.12A 2vmyA-4lglA:
26.1
2vmyB-4lglA:
25.6		 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.
4my5 PUTATIVE AMINO ACID
AMINOTRANSFERASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		4 TYR A  84
SER A 233
HIS A 239
SER A 238
 None
 1.28A 2vmyA-4my5A:
26.4
2vmyB-4my5A:
26.2		 2vmyA-4my5A:
23.00
2vmyB-4my5A:
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.
4n18 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE FAMILY
PROTEIN

(Klebsiella
pneumoniae) 		PF02826
(2-Hacid_dh_C) 		4 TYR A 176
SER A 161
SER A 188
HIS A 136
 None
 1.07A 2vmyA-4n18A:
3.8
2vmyB-4n18A:
3.8		 2vmyA-4n18A:
21.98
2vmyB-4n18A:
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.
4n18 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE FAMILY
PROTEIN

(Klebsiella
pneumoniae) 		PF02826
(2-Hacid_dh_C) 		4 TYR A 176
SER A 161
SER A 188
HIS A 136
 None
 1.33A 2vmyA-4n18A:
3.8
2vmyB-4n18A:
3.8		 2vmyA-4n18A:
21.98
2vmyB-4n18A:
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.
4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A

(Burkholderia
glumae) 		PF05853
(BKACE) 		4 TYR A 322
SER A 310
HIS A 222
SER A 308
 OAA  A 602 (-4.3A)
OAA  A 602 ( 4.7A)
MG  A 601 ( 3.4A)
OAA  A 602 (-2.5A)
 1.21A 2vmyA-4nnbA:
undetectable
2vmyB-4nnbA:
undetectable		 2vmyA-4nnbA:
22.48
2vmyB-4nnbA:
22.48
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) 		5 SER A  34
HIS A 129
HIS A 211
LYS A 237
ARG A 371
 None
PLP  A 701 (-3.6A)
PLP  A 701 (-4.0A)
PLP  A 701 (-1.5A)
None
 0.72A 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 TYR A 199
SER A  55
HIS A 271
HIS A 274
 12P  A 301 ( 4.7A)
None
None
None
 1.13A 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.
4qla JUVENILE HORMONE
EPOXIDE HYDROLASE

(Bombyx mori) 		PF06441
(EHN) 		4 SER A 157
HIS A 131
SER A 185
HIS A 152
 None
 1.12A 2vmyA-4qlaA:
undetectable
2vmyB-4qlaA:
undetectable		 2vmyA-4qlaA:
23.09
2vmyB-4qlaA:
23.09
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.
4rgw TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1

(Homo sapiens) 		PF12157
(DUF3591) 		4 TYR A 909
HIS A 858
SER A 857
HIS A 627
 None
 1.25A 2vmyA-4rgwA:
undetectable
2vmyB-4rgwA:
undetectable		 2vmyA-4rgwA:
20.62
2vmyB-4rgwA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 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 TYR B 328
HIS B  65
HIS B 294
ARG B 292
 GDU  B 402 ( 4.6A)
FAD  B 401 (-3.5A)
None
GDU  B 402 (-2.7A)
 1.26A 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.
4u7m LEUCINE-RICH REPEATS
AND
IMMUNOGLOBULIN-LIKE
DOMAINS PROTEIN 1

(Homo sapiens) 		PF07679
(I-set)
PF13927
(Ig_3) 		4 SER A 521
HIS A 582
SER A 524
LYS A 494
 None
 1.25A 2vmyA-4u7mA:
undetectable
2vmyB-4u7mA:
undetectable		 2vmyA-4u7mA:
22.01
2vmyB-4u7mA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uph SULFATASE (SULFURIC
ESTER HYDROLASE)
PROTEIN

(Agrobacterium
tumefaciens) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 TYR A 112
SER A 217
HIS A 329
SER A 327
 None
None
MG  A1001 (-3.1A)
None
 1.12A 2vmyA-4uphA:
undetectable
2vmyB-4uphA:
undetectable		 2vmyA-4uphA:
21.33
2vmyB-4uphA:
21.33
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.
4wji PUTATIVE
CYCLOHEXADIENYL
DEHYDROGENASE AND
ADH PREPHENATE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02153
(PDH) 		4 SER A 100
HIS A 193
SER A 189
HIS A 190
 NAP  A 301 ( 2.6A)
TYR  A 302 ( 4.9A)
TYR  A 302 ( 3.8A)
None
 1.31A 2vmyA-4wjiA:
3.6
2vmyB-4wjiA:
4.3		 2vmyA-4wjiA:
23.86
2vmyB-4wjiA:
23.86
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) 		5 SER A  29
SER A 170
HIS A 198
LYS A 224
ARG A 357
 CAC  A 502 (-3.2A)
CAC  A 502 ( 4.8A)
CAC  A 502 (-4.0A)
CIT  A 501 ( 2.8A)
CAC  A 502 (-3.1A)
 0.76A 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.
4xgk UDP-GALACTOPYRANOSE
MUTASE

(Corynebacterium
diphtheriae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		4 TYR A 326
HIS A  61
HIS A 290
ARG A 288
 40K  A 402 ( 3.9A)
FDA  A 403 (-3.7A)
None
40K  A 402 (-3.1A)
 1.29A 2vmyA-4xgkA:
undetectable
2vmyB-4xgkA:
undetectable		 2vmyA-4xgkA:
20.91
2vmyB-4xgkA:
20.91
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.
4yu5 IMMUNE INHIBITOR A,
METALLOPROTEASE

(Bacillus cereus) 		PF05547
(Peptidase_M6) 		4 SER A 337
HIS A 258
HIS A 335
ARG A 267
 None
 1.32A 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 TYR B 279
TYR B 305
HIS B 246
HIS B 291
 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
 1.34A 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.
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
SER C 162
HIS C 161
ARG A 403
 None
 1.17A 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.
5f4z EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		4 SER A 102
HIS A  79
SER A 133
HIS A  97
 None
 1.18A 2vmyA-5f4zA:
2.1
2vmyB-5f4zA:
2.1		 2vmyA-5f4zA:
22.97
2vmyB-5f4zA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f5y PROTEIN CYCLE

(Drosophila
melanogaster) 		PF14598
(PAS_11) 		4 TYR A 375
SER A 389
HIS A 315
SER A 313
 EDO  A 501 (-4.3A)
EDO  A 501 (-3.4A)
EDO  A 501 (-4.0A)
EDO  A 501 (-3.7A)
 1.32A 2vmyA-5f5yA:
undetectable
2vmyB-5f5yA:
undetectable		 2vmyA-5f5yA:
13.72
2vmyB-5f5yA:
13.72
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.
5fur TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1

(Homo sapiens) 		PF12157
(DUF3591) 		4 TYR G 909
HIS G 858
SER G 857
HIS G 627
 None
 1.25A 2vmyA-5furG:
undetectable
2vmyB-5furG:
undetectable		 2vmyA-5furG:
11.09
2vmyB-5furG:
11.09
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.
5hh9 PVDN

(Pseudomonas
aeruginosa) 		PF00266
(Aminotran_5) 		4 HIS A 148
SER A 205
HIS A 241
LYS A 264
 PLP  A 501 (-3.5A)
PLP  A 501 (-2.6A)
PLP  A 501 (-3.6A)
PLP  A 501 (-2.7A)
 1.20A 2vmyA-5hh9A:
28.8
2vmyB-5hh9A:
28.5		 2vmyA-5hh9A:
25.06
2vmyB-5hh9A:
25.06
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.
5i5j NITROUS-OXIDE
REDUCTASE

(Shewanella
denitrificans) 		no annotation 4 SER A  75
HIS A 125
SER A  71
ARG A  79
 None
 1.18A 2vmyA-5i5jA:
undetectable
2vmyB-5i5jA:
undetectable		 2vmyA-5i5jA:
21.10
2vmyB-5i5jA:
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.
5ikz OXALATE BIOSYNTHETIC
COMPONENT 1

(Burkholderia
thailandensis) 		PF05853
(BKACE) 		4 TYR A 326
SER A 314
HIS A 225
SER A 312
 None
None
MG  A1201 (-3.8A)
None
 1.22A 2vmyA-5ikzA:
undetectable
2vmyB-5ikzA:
undetectable		 2vmyA-5ikzA:
17.14
2vmyB-5ikzA:
17.14
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.
5jjt SERINE/THREONINE-PRO
TEIN PHOSPHATASE 5

(Arabidopsis
thaliana) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5)
PF13431
(TPR_17) 		4 TYR A  63
HIS A 413
HIS A 290
ARG A 261
 None
NI  A 501 (-3.6A)
NI  A 503 (-4.1A)
NI  A 503 (-3.5A)
 1.14A 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 TYR A 459
TYR A 186
SER A 463
ARG A 503
 None
 1.33A 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.
5n28 METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA
METHYL-COENZYME M
REDUCTASE, GAMMA
SUBUNIT

(Methanotorris
formicicus;
Methanotorris
formicicus) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02240
(MCR_gamma) 		4 SER C 121
SER C 163
HIS C 162
ARG A 403
 None
 1.24A 2vmyA-5n28C:
undetectable
2vmyB-5n28C:
undetectable		 2vmyA-5n28C:
22.22
2vmyB-5n28C:
22.22
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.
5nmw FLAVIN-CONTAINING
MONOOXYGENASE

(Zonocerus
variegatus) 		no annotation 4 TYR A 240
SER A 238
SER A 249
HIS A 243
 None
 1.15A 2vmyA-5nmwA:
undetectable
2vmyB-5nmwA:
undetectable		 2vmyA-5nmwA:
undetectable
2vmyB-5nmwA:
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.
5olt -

(-) 		no annotation 4 SER A 278
SER A 244
HIS A 443
ARG A 458
 ZN  A 601 ( 2.0A)
ZN  A 601 ( 4.4A)
ZN  A 601 (-3.2A)
CIT  A 603 (-3.0A)
 1.22A 2vmyA-5oltA:
undetectable
2vmyB-5oltA:
undetectable		 2vmyA-5oltA:
undetectable
2vmyB-5oltA:
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.
5opj RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 TYR A 344
SER A 420
HIS A 169
HIS A  93
 None
ZN  A 902 ( 4.8A)
None
None
 0.97A 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.
5usl IMV MEMBRANE PROTEIN

(Vaccinia virus) 		no annotation 4 TYR X 104
SER X  65
HIS X  67
ARG X  44
 None
 1.25A 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 5 SER A  76
HIS A 171
SER A 226
HIS A 254
ARG A 425
 None
LLP  A 280 (-3.3A)
LLP  A 280 (-3.4A)
LLP  A 280 ( 4.0A)
8Z1  A 601 ( 3.8A)
 0.33A 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.
5vc2 SERINE
HYDROXYMETHYLTRANSFE
RASE

(Helicobacter
pylori) 		PF00464
(SHMT) 		4 SER A  32
SER A 172
LYS A 226
ARG A 358
 None
 0.75A 2vmyA-5vc2A:
51.4
2vmyB-5vc2A:
48.8		 2vmyA-5vc2A:
54.01
2vmyB-5vc2A:
54.01
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) 		5 SER A  34
SER A 175
HIS A 203
LYS A 229
ARG A 362
 None
 0.76A 2vmyA-5vmbA:
55.5
2vmyB-5vmbA:
55.7		 2vmyA-5vmbA:
57.18
2vmyB-5vmbA:
57.18
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.
5vnx 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Burkholderia
multivorans) 		PF00155
(Aminotran_1_2) 		4 HIS A 137
SER A 183
HIS A 211
ARG A 367
 9EV  A 242 ( 3.5A)
9EV  A 242 ( 2.9A)
9EV  A 242 ( 3.5A)
None
 1.21A 2vmyA-5vnxA:
29.5
2vmyB-5vnxA:
29.4		 2vmyA-5vnxA:
26.02
2vmyB-5vnxA:
26.02
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 HIS A 445
SER A  67
HIS A 339
ARG A 262
 MN  A 602 ( 3.2A)
MN  A 602 ( 1.8A)
3PG  A 603 (-4.3A)
3PG  A 603 (-3.0A)
 1.32A 2vmyA-5vpuA:
undetectable
2vmyB-5vpuA:
undetectable		 2vmyA-5vpuA:
22.91
2vmyB-5vpuA:
22.91
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)
 0.30A 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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		no annotation 4 TYR A 191
SER A 220
HIS A 222
ARG A  70
 None
 1.23A 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 5 SER A 114
HIS A 209
SER A 264
HIS A 292
ARG A 454
 ACT  A 612 (-2.3A)
LLP  A 318 (-3.5A)
ACT  A 612 (-2.7A)
LLP  A 318 (-3.4A)
ACT  A 612 (-2.9A)
 0.58A 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)
 1.35A 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.
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
 0.96A 2vmyA-6eu2N:
undetectable
2vmyB-6eu2N:
undetectable		 2vmyA-6eu2N:
undetectable
2vmyB-6eu2N:
undetectable