SIMILAR PATTERNS OF AMINO ACIDS FOR 3VYW_B_SAMB401_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.
1azw PROLINE
IMINOPEPTIDASE


(Xanthomonas
citri)
PF00561
(Abhydrolase_1)
5 GLY A 109
GLY A 112
LEU A 115
ALA A 296
LEU A 305
None
1.18A 3vywB-1azwA:
undetectable
3vywB-1azwA:
20.88
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.
1cjy PROTEIN (CYTOSOLIC
PHOSPHOLIPASE A2)


(Homo sapiens)
PF00168
(C2)
PF01735
(PLA2_B)
5 GLY A 551
LEU A 556
TYR A 558
ALA A 396
LEU A 421
None
1.09A 3vywB-1cjyA:
undetectable
3vywB-1cjyA:
18.53
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA


(Methanosarcina
barkeri)
PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
5 GLY A1430
GLY A1446
LEU A1449
ALA A1514
LEU A1435
None
1.13A 3vywB-1e6yA:
undetectable
3vywB-1e6yA:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius)
PF07859
(Abhydrolase_3)
5 HIS A 282
GLY A  84
GLY A  82
TYR A 183
ALA A 116
EPE  A 455 (-4.0A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.5A)
None
None
1.12A 3vywB-1evqA:
undetectable
3vywB-1evqA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ikp EXOTOXIN A

(Pseudomonas
aeruginosa)
PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target)
5 TYR A 439
LEU A 498
ALA A 425
PHE A 436
LEU A 429
None
1.12A 3vywB-1ikpA:
undetectable
3vywB-1ikpA:
20.20
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.
1itz TRANSKETOLASE

(Zea mays)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
5 GLY A 138
GLY A 432
LEU A 435
ALA A 183
LEU A 191
None
1.12A 3vywB-1itzA:
2.6
3vywB-1itzA:
18.33
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.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus)
PF07859
(Abhydrolase_3)
5 HIS A 285
GLY A  89
GLY A  87
TYR A 188
ALA A 121
EPE  A 455 (-4.6A)
EPE  A 455 (-3.4A)
EPE  A 455 ( 4.0A)
None
None
1.17A 3vywB-1jjiA:
undetectable
3vywB-1jjiA:
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.
1m1j FIBRINOGEN BETA
CHAIN


(Gallus gallus)
PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha)
5 TYR B 274
GLY B 404
TYR B 382
ALA B 414
PHE B 379
None
1.22A 3vywB-1m1jB:
undetectable
3vywB-1m1jB:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n8y PROTOONCOPROTEIN

(Rattus
norvegicus)
PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV)
5 GLY C 412
GLY C 443
LEU C 444
TYR C 420
LEU C 292
None
1.22A 3vywB-1n8yC:
undetectable
3vywB-1n8yC:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nlu SEDOLISIN

(Pseudomonas sp.)
no annotation 5 GLY A 234
GLY A 172
LEU A 230
ALA A 193
LEU A 259
None
1.25A 3vywB-1nluA:
undetectable
3vywB-1nluA:
19.79
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE


(Rhodobacter
sphaeroides)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
5 GLY A 120
GLY A 122
ALA A 132
PHE A 397
LEU A 145
None
1.01A 3vywB-1ogyA:
undetectable
3vywB-1ogyA:
17.77
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE


(Rhodobacter
sphaeroides)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
6 HIS A 151
GLY A 120
ASN A 457
ALA A 132
PHE A 397
LEU A 145
MGD  A1803 ( 4.8A)
None
None
None
None
None
0.81A 3vywB-1ogyA:
undetectable
3vywB-1ogyA:
17.77
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.
1ps9 2,4-DIENOYL-COA
REDUCTASE


(Escherichia
coli)
PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2)
5 GLY A 225
GLY A 541
LEU A 543
ASN A 169
LEU A 172
None
0.93A 3vywB-1ps9A:
undetectable
3vywB-1ps9A:
18.28
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.
1q1r PUTIDAREDOXIN
REDUCTASE


(Pseudomonas
putida)
PF07992
(Pyr_redox_2)
PF14759
(Reductase_C)
5 TYR A  70
GLY A  16
LEU A  77
ALA A 305
PHE A  21
None
None
None
FAD  A 749 ( 3.8A)
None
1.23A 3vywB-1q1rA:
2.0
3vywB-1q1rA:
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.
1s5p NAD-DEPENDENT
DEACETYLASE


(Escherichia
coli)
PF02146
(SIR2)
5 HIS A 110
GLY A  48
GLY A  50
ALA A 222
LEU A  46
None
1.23A 3vywB-1s5pA:
undetectable
3vywB-1s5pA:
21.43
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.
1sgj CITRATE LYASE, BETA
SUBUNIT


(Deinococcus
radiodurans)
PF03328
(HpcH_HpaI)
5 TYR A 156
GLY A 133
GLY A 131
LEU A 160
PHE A 151
None
1.22A 3vywB-1sgjA:
undetectable
3vywB-1sgjA:
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.
1yrw PROTEIN ARNA

(Escherichia
coli)
PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C)
5 TYR A  24
GLY A  15
ALA A 169
PHE A  80
LEU A 103
None
1.07A 3vywB-1yrwA:
2.7
3vywB-1yrwA:
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.
1z7e PROTEIN ARNA

(Escherichia
coli)
PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C)
5 TYR A  24
GLY A  15
ALA A 169
PHE A  80
LEU A 103
None
1.14A 3vywB-1z7eA:
4.9
3vywB-1z7eA:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zap SECRETED ASPARTIC
PROTEINASE


(Candida
albicans)
PF00026
(Asp)
5 GLY A 127
GLY A 125
LEU A  38
ASN A 153
LEU A 320
None
1.25A 3vywB-1zapA:
undetectable
3vywB-1zapA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zun SULFATE ADENYLATE
TRANSFERASE, SUBUNIT
1/ADENYLYLSULFATE
KINASE


(Pseudomonas
syringae group
genomosp. 3)
PF00009
(GTP_EFTU)
5 TYR B 150
LEU B 378
ASN B 376
ALA B 383
LEU B 386
None
1.17A 3vywB-1zunB:
3.6
3vywB-1zunB:
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.
2bvg 6-HYDROXY-D-NICOTINE
OXIDASE


(Paenarthrobacter
nicotinovorans)
PF01565
(FAD_binding_4)
PF08031
(BBE)
5 TYR A 242
GLY A 128
GLY A 145
ASN A 300
ASN A 413
None
FAD  A 600 ( 3.7A)
None
None
FAD  A 600 (-3.8A)
1.23A 3vywB-2bvgA:
undetectable
3vywB-2bvgA:
23.01
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon)
PF07859
(Abhydrolase_3)
5 HIS A 281
GLY A  83
GLY A  81
TYR A 182
ALA A 115
None
1.12A 3vywB-2c7bA:
undetectable
3vywB-2c7bA:
24.86
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.
2cuy MALONYL COA-[ACYL
CARRIER PROTEIN]
TRANSACYLASE


(Thermus
thermophilus)
PF00698
(Acyl_transf_1)
5 TYR A 222
ASN A 224
ALA A 107
PHE A   6
LEU A  64
None
1.11A 3vywB-2cuyA:
undetectable
3vywB-2cuyA:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A


(Staphylococcus
aureus)
PF01425
(Amidase)
5 GLY A 153
GLY A 130
TYR A 422
ASN A 424
ALA A 159
None
GLN  A 501 (-3.2A)
None
None
None
1.16A 3vywB-2f2aA:
undetectable
3vywB-2f2aA:
20.73
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.
2f2b AQUAPORIN AQPM

(Methanothermobacter
marburgensis)
PF00230
(MIP)
5 GLY A  50
GLY A  53
ALA A  33
ASN A  43
LEU A  48
None
1.24A 3vywB-2f2bA:
undetectable
3vywB-2f2bA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f9z PROTEIN (CHEMOTAXIS
METHYLATION PROTEIN)


(Thermotoga
maritima)
PF03975
(CheD)
5 GLY C  89
GLY C 125
ASN C  99
ALA C  29
LEU C  24
None
1.26A 3vywB-2f9zC:
undetectable
3vywB-2f9zC:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ggs 273AA LONG
HYPOTHETICAL
DTDP-4-DEHYDRORHAMNO
SE REDUCTASE


(Sulfurisphaera
tokodaii)
PF04321
(RmlD_sub_bind)
5 TYR A  39
GLY A  38
ALA A  65
PHE A  52
LEU A  43
None
None
NDP  A 900 (-3.7A)
None
NDP  A 900 (-3.8A)
1.18A 3vywB-2ggsA:
undetectable
3vywB-2ggsA:
25.84
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.
2gqf HYPOTHETICAL PROTEIN
HI0933


(Haemophilus
influenzae)
PF03486
(HI0933_like)
5 GLY A  13
GLY A  40
LEU A  44
ALA A 163
PHE A 384
FAD  A 403 (-3.1A)
None
None
FAD  A 403 (-4.6A)
FAD  A 403 (-3.7A)
1.26A 3vywB-2gqfA:
undetectable
3vywB-2gqfA:
23.99
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.
2i9k MODIFICATION
METHYLASE HHAI


(Haemophilus
haemolyticus)
PF00145
(DNA_methylase)
5 TYR A 285
GLY A 284
ALA A 248
PHE A 302
LEU A 274
None
1.20A 3vywB-2i9kA:
5.9
3vywB-2i9kA:
23.56
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.
2lbp LEUCINE-BINDING
PROTEIN


(Escherichia
coli)
PF13458
(Peripla_BP_6)
5 TYR A 202
GLY A 224
GLY A 227
TYR A 203
ALA A 128
None
0.96A 3vywB-2lbpA:
undetectable
3vywB-2lbpA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nqo GAMMA-GLUTAMYLTRANSP
EPTIDASE


(Helicobacter
pylori)
PF01019
(G_glu_transpept)
5 GLY A  69
LEU A  72
ASN A  81
ALA A 145
LEU A 100
None
0.98A 3vywB-2nqoA:
undetectable
3vywB-2nqoA:
22.03
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.
2nya PERIPLASMIC NITRATE
REDUCTASE


(Escherichia
coli)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
5 HIS A 142
GLY A 111
ASN A 447
ALA A 123
PHE A 387
MGD  A3001 ( 4.9A)
None
None
None
None
0.81A 3vywB-2nyaA:
2.2
3vywB-2nyaA:
16.02
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.
2p4q 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING 1


(Saccharomyces
cerevisiae)
PF00393
(6PGD)
PF03446
(NAD_binding_2)
5 GLY A 124
GLY A 100
LEU A  73
ALA A 177
PHE A 156
None
1.20A 3vywB-2p4qA:
3.4
3vywB-2p4qA:
21.73
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum)
PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N)
5 HIS A 103
GLY A 124
GLY A 126
ALA A 179
LEU A 207
S4M  A 501 (-3.7A)
S4M  A 501 (-3.4A)
S4M  A 501 ( 4.4A)
S4M  A 501 (-3.5A)
S4M  A 501 (-4.4A)
1.22A 3vywB-2pt6A:
14.6
3vywB-2pt6A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 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)
5 HIS A 247
GLY A  35
GLY A  33
TYR A 129
ALA A  67
PO4  A 273 (-4.0A)
PO4  A 273 (-3.5A)
PO4  A 273 ( 3.7A)
None
None
1.17A 3vywB-2qruA:
undetectable
3vywB-2qruA:
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.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli)
PF05430
(Methyltransf_30)
5 GLY A  86
GLY A  88
ASN A  92
LYS A 122
ASN A 205
None
1.02A 3vywB-2qy6A:
23.8
3vywB-2qy6A:
24.63
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.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli)
PF05430
(Methyltransf_30)
6 TYR A  48
GLY A  86
GLY A  88
ASN A  92
PHE A 200
ASN A 205
None
0.62A 3vywB-2qy6A:
23.8
3vywB-2qy6A:
24.63
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.
2vrc TRIPHENYLMETHANE
REDUCTASE


(Citrobacter sp.
MY-5)
PF05368
(NmrA)
5 HIS A 121
GLY A  75
LEU A  83
ALA A   8
PHE A  72
None
1.25A 3vywB-2vrcA:
4.4
3vywB-2vrcA:
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.
2yh2 ESTERASE

(Pyrobaculum
calidifontis)
PF07859
(Abhydrolase_3)
5 HIS A 284
GLY A  86
GLY A  84
TYR A 185
ALA A 118
None
1.17A 3vywB-2yh2A:
2.1
3vywB-2yh2A:
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.
3b78 EXOTOXIN A

(Pseudomonas
aeruginosa)
PF09009
(Exotox-A_cataly)
5 TYR B 439
LEU B 498
ALA B 425
PHE B 436
LEU B 429
None
1.11A 3vywB-3b78B:
undetectable
3vywB-3b78B:
20.65
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.
3bdi UNCHARACTERIZED
PROTEIN TA0194


(Thermoplasma
acidophilum)
PF00561
(Abhydrolase_1)
PF12146
(Hydrolase_4)
5 HIS A 185
GLY A 109
GLY A  34
ALA A  85
LEU A  82
None
1.24A 3vywB-3bdiA:
undetectable
3vywB-3bdiA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bvh FIBRINOGEN BETA
CHAIN


(Homo sapiens)
PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha)
5 TYR B 269
GLY B 400
TYR B 378
ALA B 410
PHE B 375
None
1.22A 3vywB-3bvhB:
undetectable
3vywB-3bvhB:
18.58
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.
3d3j ENHANCER OF
MRNA-DECAPPING
PROTEIN 3


(Homo sapiens)
PF03853
(YjeF_N)
PF09532
(FDF)
5 GLY A 342
GLY A 347
ASN A 409
ASN A 416
LEU A 419
None
1.08A 3vywB-3d3jA:
5.0
3vywB-3d3jA:
24.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fcr PUTATIVE
AMINOTRANSFERASE


(Ruegeria sp.
TM1040)
PF00202
(Aminotran_3)
5 GLY A 356
GLY A 380
LEU A 268
ALA A 441
PHE A 434
None
1.01A 3vywB-3fcrA:
undetectable
3vywB-3fcrA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fut DIMETHYLADENOSINE
TRANSFERASE


(Thermus
thermophilus)
PF00398
(RrnaAD)
5 GLY A  54
GLY A  56
LEU A  57
LYS A  76
ALA A 100
None
0.77A 3vywB-3futA:
8.8
3vywB-3futA:
24.14
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.
3fut DIMETHYLADENOSINE
TRANSFERASE


(Thermus
thermophilus)
PF00398
(RrnaAD)
5 GLY A  54
GLY A  56
LEU A  57
LYS A  76
LEU A 118
None
0.97A 3vywB-3futA:
8.8
3vywB-3futA:
24.14
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.
3gvz UNCHARACTERIZED
PROTEIN CV2077


(Chromobacterium
violaceum)
PF03417
(AAT)
5 TYR A 177
GLY A 156
LEU A 183
ALA A 130
LEU A 163
None
1.14A 3vywB-3gvzA:
undetectable
3vywB-3gvzA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h09 IMMUNOGLOBULIN A1
PROTEASE


(Haemophilus
influenzae)
PF02395
(Peptidase_S6)
PF03212
(Pertactin)
5 GLY A 429
GLY A 408
ASN A 383
PHE A 173
LEU A 452
None
1.16A 3vywB-3h09A:
undetectable
3vywB-3h09A:
15.83
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.
3h32 FIBRINOGEN BETA
CHAIN


(Homo sapiens)
PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha)
5 TYR B 269
GLY B 400
TYR B 378
ALA B 410
PHE B 375
None
1.20A 3vywB-3h32B:
undetectable
3vywB-3h32B:
20.97
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.
3h4m PROTEASOME-ACTIVATIN
G NUCLEOTIDASE


(Methanocaldococcus
jannaschii)
PF00004
(AAA)
5 HIS A 353
GLY A 216
GLY A 377
LEU A 380
LEU A 220
ADP  A 439 (-4.2A)
ADP  A 439 (-3.0A)
ADP  A 439 (-3.1A)
None
None
1.13A 3vywB-3h4mA:
undetectable
3vywB-3h4mA:
24.55
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.
3il7 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3


(Staphylococcus
aureus)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
5 TYR A 117
GLY A 297
GLY A 305
TYR A 178
ALA A 240
None
1.14A 3vywB-3il7A:
undetectable
3vywB-3il7A:
22.87
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.
3jwp TRANSCRIPTIONAL
REGULATORY PROTEIN
SIR2 HOMOLOGUE


(Plasmodium
falciparum)
PF02146
(SIR2)
5 HIS A  88
GLY A  28
GLY A  30
ALA A 207
LEU A  26
None
AMP  A 266 ( 4.0A)
AMP  A 266 (-3.2A)
None
None
1.10A 3vywB-3jwpA:
undetectable
3vywB-3jwpA:
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.
3ktn CARBOHYDRATE KINASE,
PFKB FAMILY


(Enterococcus
faecalis)
PF00294
(PfkB)
5 TYR A 185
GLY A 197
LEU A 205
ALA A 281
PHE A 164
None
1.10A 3vywB-3ktnA:
2.6
3vywB-3ktnA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lrk ALPHA-GALACTOSIDASE
1


(Saccharomyces
cerevisiae)
PF16499
(Melibiase_2)
5 TYR A 331
GLY A 362
GLY A 341
ALA A 278
LEU A 360
None
1.17A 3vywB-3lrkA:
undetectable
3vywB-3lrkA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o5a PERIPLASMIC NITRATE
REDUCTASE


(Cupriavidus
necator)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
5 HIS A 151
GLY A 120
ASN A 457
ALA A 132
PHE A 397
MGD  A1803 ( 4.6A)
None
None
None
FMT  A 803 (-3.6A)
0.72A 3vywB-3o5aA:
2.9
3vywB-3o5aA:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC


(Escherichia
coli)
PF01266
(DAO)
PF05430
(Methyltransf_30)
6 TYR A  28
GLY A  66
GLY A  68
ASN A  72
PHE A 180
ASN A 185
SAM  A 670 (-4.5A)
SAM  A 670 (-3.5A)
SAM  A 670 (-3.2A)
SAM  A 670 ( 3.7A)
SAM  A 670 (-3.6A)
SAM  A 670 ( 4.1A)
0.48A 3vywB-3ps9A:
22.8
3vywB-3ps9A:
19.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vyw MNMC2

(Aquifex
aeolicus)
PF05430
(Methyltransf_30)
6 GLY A 104
LEU A 137
ALA A 175
PHE A 195
ASN A 200
LEU A 203
SAM  A 501 (-3.6A)
None
SAM  A 501 (-3.8A)
SAM  A 501 (-3.7A)
SAM  A 501 (-3.2A)
SAM  A 501 (-4.6A)
1.40A 3vywB-3vywA:
49.9
3vywB-3vywA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vyw MNMC2

(Aquifex
aeolicus)
PF05430
(Methyltransf_30)
12 TYR A  67
HIS A  68
GLY A 104
GLY A 106
LEU A 107
TYR A 109
ASN A 110
LYS A 134
ALA A 175
PHE A 195
ASN A 200
LEU A 203
SAM  A 501 (-4.5A)
SAM  A 501 (-4.2A)
SAM  A 501 (-3.6A)
SAM  A 501 (-3.3A)
SAM  A 501 (-4.3A)
SAM  A 501 (-4.6A)
SAM  A 501 (-3.6A)
SAM  A 501 (-4.4A)
SAM  A 501 (-3.8A)
SAM  A 501 (-3.7A)
SAM  A 501 (-3.2A)
SAM  A 501 (-4.6A)
0.39A 3vywB-3vywA:
49.9
3vywB-3vywA:
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.
4azc BETA-N-ACETYLHEXOSAM
INIDASE


(Streptococcus
pneumoniae)
PF00728
(Glyco_hydro_20)
5 HIS A 665
GLY A 669
LEU A 666
ASN A 800
ALA A 745
None
1.25A 3vywB-4azcA:
undetectable
3vywB-4azcA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
5 GLY A 251
GLY A 258
ASN A 188
ALA A 275
LEU A 267
None
1.15A 3vywB-4c7vA:
2.7
3vywB-4c7vA:
19.44
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.
4d65 PORIN 2

(Providencia
stuartii)
PF00267
(Porin_1)
5 TYR A 233
GLY A 234
ASN A 102
ALA A 251
LEU A 291
LDA  A1372 (-4.3A)
None
None
None
None
1.05A 3vywB-4d65A:
undetectable
3vywB-4d65A:
19.15
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.
4hum MULTIDRUG EFFLUX
PROTEIN


(Neisseria
gonorrhoeae)
PF01554
(MatE)
5 GLY A  72
GLY A 255
LEU A 256
PHE A  70
LEU A 156
None
1.19A 3vywB-4humA:
undetectable
3vywB-4humA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE


(Yersinia pestis)
PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M)
5 HIS A  70
GLY A  48
ASN A  75
ALA A  36
LEU A  60
None
1.20A 3vywB-4hv4A:
3.2
3vywB-4hv4A:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jfc ENOYL-COA HYDRATASE

(Polaromonas sp.
JS666)
PF00378
(ECH_1)
5 GLY A 146
GLY A 144
LEU A  87
ALA A 151
LEU A 163
None
1.22A 3vywB-4jfcA:
undetectable
3vywB-4jfcA:
23.01
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.
4kfv GOLGI
REASSEMBLY-STACKING
PROTEIN 1


(Rattus
norvegicus)
PF04495
(GRASP55_65)
5 GLY A 192
GLY A 194
ALA A 123
PHE A 149
LEU A 189
None
1.19A 3vywB-4kfvA:
undetectable
3vywB-4kfvA:
22.47
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.
4mbz MAJOR CAPSID PROTEIN
VP1


(African green
monkey
polyomavirus)
PF00718
(Polyoma_coat)
5 TYR A 222
GLY A 156
ASN A 216
PHE A 153
LEU A 262
None
None
None
IPA  A 405 (-4.6A)
None
1.20A 3vywB-4mbzA:
undetectable
3vywB-4mbzA:
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.
4od5 4-HYDROXYBENZOATE
OCTAPRENYLTRANSFERAS
E


(Aeropyrum
pernix)
PF01040
(UbiA)
5 GLY A 140
GLY A  19
ALA A 101
PHE A  27
LEU A  97
None
1.24A 3vywB-4od5A:
undetectable
3vywB-4od5A:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ojx 3',5'-CYCLIC-NUCLEOT
IDE
PHOSPHODIESTERASE 1


(Saccharomyces
cerevisiae)
PF02112
(PDEase_II)
5 TYR A  18
GLY A  41
GLY A  19
ALA A  37
ASN A 140
None
1.15A 3vywB-4ojxA:
undetectable
3vywB-4ojxA:
24.16
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae)
PF07859
(Abhydrolase_3)
5 HIS A 274
GLY A  81
GLY A  79
TYR A 177
ALA A 113
None
1.13A 3vywB-4p9nA:
2.2
3vywB-4p9nA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pot VP1

(Human
polyomavirus 9)
PF00718
(Polyoma_coat)
5 TYR A 225
GLY A 159
ASN A 219
PHE A 156
LEU A 265
None
None
None
IPA  A 404 (-4.6A)
None
1.20A 3vywB-4potA:
undetectable
3vywB-4potA:
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.
4pve POLLEN ALLERGEN PHL
P 4.0202


(Phleum pratense)
PF01565
(FAD_binding_4)
PF08031
(BBE)
5 TYR A 436
GLY A 208
TYR A  88
ALA A 203
LEU A 474
FAD  A 601 (-4.5A)
None
FAD  A 601 ( 3.7A)
None
None
1.10A 3vywB-4pveA:
undetectable
3vywB-4pveA:
21.06
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.
4qqf MITOCHONDRIAL IMPORT
INNER MEMBRANE
TRANSLOCASE SUBUNIT
TIM50


(Saccharomyces
cerevisiae)
no annotation 5 LEU D 228
TYR D 232
ALA D 249
PHE D 201
LEU D 198
None
1.09A 3vywB-4qqfD:
undetectable
3vywB-4qqfD:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum)
PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N)
5 HIS A 103
GLY A 124
GLY A 126
ALA A 179
LEU A 207
None
MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-3.6A)
MTA  A 401 (-4.4A)
1.24A 3vywB-4uoeA:
14.9
3vywB-4uoeA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wbt PROBABLE
HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE


(Sinorhizobium
meliloti)
PF00155
(Aminotran_1_2)
5 GLY A 236
GLY A  93
ALA A 265
ASN A  70
LEU A  73
None
PLP  A 401 (-3.2A)
None
None
None
1.16A 3vywB-4wbtA:
undetectable
3vywB-4wbtA:
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.
4wyr ACETYL-COA
ACETYLTRANSFERASE


(Clostridium
acetobutylicum)
PF00108
(Thiolase_N)
PF02803
(Thiolase_C)
5 GLY A 248
LEU A 249
TYR A  17
ALA A 179
LEU A 228
PEG  A 503 ( 4.4A)
PEG  A 503 ( 4.7A)
None
None
None
1.15A 3vywB-4wyrA:
undetectable
3vywB-4wyrA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ybn FLAVIN-NUCLEOTIDE-BI
NDING PROTEIN


(Mycolicibacterium
smegmatis)
PF12900
(Pyridox_ox_2)
5 GLY A  52
LEU A  35
ASN A 221
ALA A 152
LEU A 124
None
None
None
None
HEM  A 304 (-4.0A)
1.08A 3vywB-4ybnA:
undetectable
3vywB-4ybnA:
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.
4ypv EST8

(Parvibaculum)
PF07859
(Abhydrolase_3)
5 HIS A 283
GLY A  88
GLY A  86
TYR A 187
ALA A 120
None
1.11A 3vywB-4ypvA:
undetectable
3vywB-4ypvA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z8x ATP-DEPENDENT ZINC
METALLOPROTEASE FTSH


(Aquifex
aeolicus)
PF00004
(AAA)
PF01434
(Peptidase_M41)
5 HIS A 338
GLY A 200
GLY A 362
LEU A 365
LEU A 204
ADP  A 702 ( 4.1A)
ADP  A 702 ( 3.4A)
ADP  A 702 ( 3.6A)
None
None
1.09A 3vywB-4z8xA:
undetectable
3vywB-4z8xA:
22.65
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.
5b26 PROTEIN SEL-1
HOMOLOG 1


(Mus musculus)
PF08238
(Sel1)
5 GLY A 448
GLY A 450
LEU A 454
TYR A 455
ALA A 437
None
1.20A 3vywB-5b26A:
undetectable
3vywB-5b26A:
19.67
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.
5b2d HN PROTEIN

(Mumps
rubulavirus)
PF00423
(HN)
5 GLY A 311
GLY A 309
TYR A 420
ALA A 254
LEU A 318
None
1.13A 3vywB-5b2dA:
undetectable
3vywB-5b2dA:
19.96
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.
5cqf L-LYSINE
6-MONOOXYGENASE


(Pseudomonas
syringae group
genomosp. 3)
PF13434
(K_oxygenase)
5 HIS A  56
GLY A  17
GLY A  19
PHE A 128
LEU A  47
None
1.04A 3vywB-5cqfA:
2.5
3vywB-5cqfA:
20.05
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.
5d79 BERBERINE BRIDGE
ENZYME-LIKE PROTEIN


(Arabidopsis
thaliana)
PF01565
(FAD_binding_4)
PF08031
(BBE)
5 TYR A 470
GLY A 232
TYR A 113
ALA A 227
LEU A 507
FAD  A 603 (-4.5A)
None
FAD  A 603 (-4.9A)
None
None
1.16A 3vywB-5d79A:
undetectable
3vywB-5d79A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dkv ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)


(Agrobacterium
vitis)
PF13407
(Peripla_BP_4)
5 GLY A 231
GLY A 237
LEU A 238
ASN A 205
ALA A 154
None
1.26A 3vywB-5dkvA:
undetectable
3vywB-5dkvA:
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.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2


(Saccharomyces
cerevisiae)
PF00227
(Proteasome)
PF12465
(Pr_beta_C)
5 HIS H 114
GLY H 128
TYR H  97
ALA H 158
LEU H 138
None
1.18A 3vywB-5fg9H:
undetectable
3vywB-5fg9H:
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.
5grh ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT GAMMA,
MITOCHONDRIAL


(Homo sapiens)
PF00180
(Iso_dh)
5 HIS B  51
GLY B  27
GLY B  23
ALA B 284
ASN B 280
None
1.22A 3vywB-5grhB:
2.4
3vywB-5grhB:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli)
PF01204
(Trehalase)
5 GLY A  51
LEU A 133
ALA A  89
PHE A  85
LEU A  87
None
1.14A 3vywB-5gw7A:
undetectable
3vywB-5gw7A:
18.28
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.
5h3k SLR0280 PROTEIN

(Synechocystis
sp. PCC 6803)
no annotation 5 GLY A 352
GLY A 363
LEU A 403
ALA A 501
ASN A 603
None
1.01A 3vywB-5h3kA:
undetectable
3vywB-5h3kA:
16.37
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.
5hyz GRAS FAMILY
TRANSCRIPTION FACTOR
CONTAINING PROTEIN,
EXPRESSED


(Oryza sativa)
PF03514
(GRAS)
5 GLY A 443
LEU A 412
ASN A 409
ALA A 560
LEU A 531
None
1.09A 3vywB-5hyzA:
10.0
3vywB-5hyzA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jd4 LAE6

(uncultured
bacterium)
PF07859
(Abhydrolase_3)
5 HIS A 286
GLY A  90
GLY A  88
TYR A 189
ALA A 122
BAM  A 407 (-3.9A)
BAM  A 407 (-3.5A)
BAM  A 407 ( 3.9A)
None
None
1.07A 3vywB-5jd4A:
undetectable
3vywB-5jd4A:
21.85
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.
5jij ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE


(Mycolicibacterium
thermoresistibile)
PF00982
(Glyco_transf_20)
5 GLY A 243
LEU A 200
ALA A 472
PHE A 166
LEU A 195
None
1.19A 3vywB-5jijA:
2.4
3vywB-5jijA:
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.
5l2p ARYLESTERASE

(Sulfolobus
solfataricus)
PF07859
(Abhydrolase_3)
5 GLY A 213
ALA A 125
PHE A 185
ASN A 160
LEU A 161
None
1.08A 3vywB-5l2pA:
undetectable
3vywB-5l2pA:
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.
5l2v CHITIN-BINDING
PROTEIN


(Listeria
monocytogenes)
PF03067
(LPMO_10)
5 TYR A 157
GLY A 145
LEU A 144
ALA A 127
LEU A  81
None
1.16A 3vywB-5l2vA:
undetectable
3vywB-5l2vA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME


(Pseudomonas
savastanoi)
PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N)
5 GLY A 187
GLY A 185
LEU A 272
LYS A  89
ALA A  87
None
1.10A 3vywB-5lunA:
undetectable
3vywB-5lunA:
21.08
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.
5nd5 TRANSKETOLASE

(Chlamydomonas
reinhardtii)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
5 GLY A 177
GLY A 472
LEU A 475
ALA A 223
LEU A 231
None
1.09A 3vywB-5nd5A:
2.7
3vywB-5nd5A:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nxn PORIN 1

(Providencia
stuartii)
no annotation 5 TYR A 243
GLY A 244
ASN A 105
ALA A 259
LEU A 300
None
1.04A 3vywB-5nxnA:
undetectable
3vywB-5nxnA:
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.
5o4g RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2


(Homo sapiens)
no annotation 5 GLY C 411
GLY C 442
LEU C 443
TYR C 419
LEU C 291
None
1.12A 3vywB-5o4gC:
undetectable
3vywB-5o4gC:
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.
5oyn DEHYDRATASE,
ILVD/EDD FAMILY


(Caulobacter
vibrioides)
no annotation 5 TYR A 560
GLY A 454
GLY A 460
LEU A 101
ALA A 501
None
1.14A 3vywB-5oynA:
undetectable
3vywB-5oynA:
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.
5veh KYNURENINE
AMINOTRANSFERASE


(Aedes aegypti)
no annotation 5 GLY A 345
GLY A 196
LEU A 195
ASN A 193
LEU A 321
None
None
None
LLP  A 255 ( 3.9A)
None
1.26A 3vywB-5vehA:
undetectable
3vywB-5vehA:
21.85
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.
6dft -

(-)
no annotation 5 GLY B 260
GLY B 262
ALA B 317
ASN B  73
LEU B  74
NAD  B 500 (-3.5A)
NAD  A 502 (-3.6A)
NAD  B 500 (-3.6A)
NAD  B 500 (-3.5A)
None
1.25A 3vywB-6dftB:
2.3
3vywB-6dftB:
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.
6grw -

(-)
no annotation 5 GLY A 138
LEU A 139
ALA A 422
PHE A 283
LEU A 285
None
None
None
None
EDO  A 509 ( 4.9A)
1.26A 3vywB-6grwA:
undetectable
3vywB-6grwA:
undetectable