SIMILAR PATTERNS OF AMINO ACIDS FOR 1VQ1_B_SAMB301_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.
1a6d THERMOSOME (ALPHA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 THR A 447
GLY A 104
ILE A 443
VAL A 508
GLU A 507
 None
 0.90A 1vq1B-1a6dA:
2.0		 1vq1B-1a6dA:
21.47
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.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		6 THR B  97
ILE B 477
GLY B 409
ILE B 445
GLU B 485
PRO B  43
 None
 1.44A 1vq1B-1a6dB:
undetectable		 1vq1B-1a6dB:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		6 PHE A  35
THR A  44
GLY A  63
GLY A  65
ILE A  69
PRO A 131
 None
 0.68A 1vq1B-1dusA:
18.9		 1vq1B-1dusA:
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.
1iou YKT6P

(Saccharomyces
cerevisiae) 		PF13774
(Longin) 		6 THR A 116
GLY A  77
GLY A   7
VAL A  68
GLU A  55
ALA A  44
 None
 1.44A 1vq1B-1iouA:
undetectable		 1vq1B-1iouA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		6 THR A 452
ILE A 109
GLY A 108
GLY A 106
ILE A 448
ALA A 104
 None
 1.41A 1vq1B-1kplA:
undetectable		 1vq1B-1kplA:
20.63
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.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 THR A 270
ILE A 303
GLY A 304
GLY A 308
ILE A 287
 None
None
FAD  A 459 ( 3.8A)
None
None
 0.98A 1vq1B-1lvlA:
3.6		 1vq1B-1lvlA:
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.
1n2f ORGANIC
HYDROPEROXIDE
RESISTANCE PROTEIN

(Pseudomonas
aeruginosa) 		PF02566
(OsmC) 		5 THR A 130
ILE A  88
GLY A  87
ILE A 134
ALA A  54
 None
 0.98A 1vq1B-1n2fA:
undetectable		 1vq1B-1n2fA:
18.71
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.
1ndf CARNITINE
ACETYLTRANSFERASE

(Mus musculus) 		PF00755
(Carn_acyltransf) 		5 ILE A 116
GLY A 567
GLY A 575
ILE A 409
PRO A 120
 None
 1.02A 1vq1B-1ndfA:
2.1		 1vq1B-1ndfA:
20.33
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.
1q3s THERMOSOME ALPHA
SUBUNIT

(Thermococcus
sp. JCM 11816) 		PF00118
(Cpn60_TCP1) 		6 THR A  99
ILE A 479
GLY A 411
ILE A 447
GLU A 483
PRO A  45
 ADP  A1528 (-3.7A)
None
ADP  A1528 (-3.4A)
ADP  A1528 ( 4.7A)
None
ADP  A1528 (-4.1A)
 1.18A 1vq1B-1q3sA:
undetectable		 1vq1B-1q3sA:
22.55
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.
1qr7 PHENYLALANINE-REGULA
TED
3-DEOXY-D-ARABINO-HE
PTULOSONATE-7-PHOSPH
ATE SYNTHASE

(Escherichia
coli) 		PF00793
(DAHP_synth_1) 		5 GLY A 160
GLY A 184
ILE A  43
GLU A  96
ALA A 176
 None
 0.96A 1vq1B-1qr7A:
undetectable		 1vq1B-1qr7A:
24.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sg9 HEMK PROTEIN

(Thermotoga
maritima) 		PF05175
(MTS) 		12 PHE A 100
THR A 106
ILE A 128
GLY A 129
GLY A 131
SER A 132
ILE A 135
VAL A 152
GLU A 179
PHE A 180
PRO A 199
ALA A 218
 SAM  A 301 ( 3.4A)
SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-4.8A)
SAM  A 301 (-4.3A)
None
SAM  A 301 (-3.5A)
SAM  A 301 ( 4.6A)
SAM  A 301 (-3.3A)
 0.31A 1vq1B-1sg9A:
39.0		 1vq1B-1sg9A:
95.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1typ TRYPANOTHIONE
REDUCTASE

(Crithidia
fasciculata) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A  10
GLY A  11
GLY A  13
SER A  14
ALA A  46
 FAD  A 493 (-4.7A)
FAD  A 493 (-3.3A)
FAD  A 493 (-3.2A)
GSH  A 495 ( 3.5A)
FAD  A 493 (-3.2A)
 0.82A 1vq1B-1typA:
2.8		 1vq1B-1typA:
22.11
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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		5 GLY A 325
GLY A 322
ILE A 359
PHE A 332
ALA A 294
 None
 0.94A 1vq1B-1u7gA:
undetectable		 1vq1B-1u7gA:
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.
1vi1 FATTY
ACID/PHOSPHOLIPID
SYNTHESIS PROTEIN
PLSX

(Bacillus
subtilis) 		PF02504
(FA_synthesis) 		5 THR A 192
GLY A 174
GLY A 206
VAL A 217
PHE A 135
 None
 1.03A 1vq1B-1vi1A:
2.8		 1vq1B-1vi1A:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wye 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Sulfurisphaera
tokodaii) 		PF00294
(PfkB) 		5 ILE A  89
GLY A  88
GLY A 113
ILE A  10
ALA A  85
 None
 1.03A 1vq1B-1wyeA:
2.7		 1vq1B-1wyeA:
23.17
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.
1y56 SARCOSINE OXIDASE

(Pyrococcus
horikoshii) 		PF01266
(DAO) 		5 ILE B  11
GLY B  12
GLY B  14
ILE B  20
GLU B 171
 None
FAD  B 800 (-3.3A)
FAD  B 800 (-3.3A)
None
FAD  B 800 (-4.7A)
 0.77A 1vq1B-1y56B:
2.5		 1vq1B-1y56B:
22.96
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.
1yv9 HYDROLASE, HALOACID
DEHALOGENASE FAMILY

(Enterococcus
faecalis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 THR A 242
ILE A 222
GLY A 221
ILE A 218
GLU A 199
 None
 0.98A 1vq1B-1yv9A:
undetectable		 1vq1B-1yv9A:
23.17
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.
2a8x DIHYDROLIPOYL
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 307
GLY A 308
GLY A 312
ILE A 291
GLU A 321
 None
FAD  A 480 (-3.2A)
None
None
None
 0.88A 1vq1B-2a8xA:
2.8		 1vq1B-2a8xA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		6 THR A  95
GLY A 117
GLY A 119
ILE A 123
PRO A 185
ALA A 206
 SAH  A 300 ( 4.3A)
SAH  A 300 (-3.4A)
SAH  A 300 (-3.5A)
None
SAH  A 300 ( 3.9A)
SAH  A 300 (-3.4A)
 0.46A 1vq1B-2b3tA:
29.8		 1vq1B-2b3tA:
28.20
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.
2b4c ANTI-HIV-1 GP120
IMMUNOGLOBULIN X5
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		6 PHE H  96
ILE H  52
GLY H 100
GLY H 100
PHE H  54
PRO H  98
 None
 1.36A 1vq1B-2b4cH:
undetectable		 1vq1B-2b4cH:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bdt BH3686

(Bacillus
halodurans) 		PF13238
(AAA_18) 		6 THR A  18
ILE A 107
GLY A   9
ILE A   7
VAL A 136
GLU A 140
 None
 1.19A 1vq1B-2bdtA:
undetectable		 1vq1B-2bdtA:
19.60
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.
2eq5 228AA LONG
HYPOTHETICAL
HYDANTOIN RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		5 GLY A 207
SER A 206
ILE A   6
PRO A  32
ALA A  30
 None
 0.97A 1vq1B-2eq5A:
undetectable		 1vq1B-2eq5A:
24.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f4l ACETAMIDASE,
PUTATIVE

(Thermotoga
maritima) 		PF03069
(FmdA_AmdA) 		5 GLY A 172
GLY A 124
GLU A  32
PRO A  51
ALA A  36
 None
None
None
None
ZN  A1400 ( 3.9A)
 0.97A 1vq1B-2f4lA:
undetectable		 1vq1B-2f4lA:
26.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		6 ILE A  72
GLY A  73
GLY A  75
SER A  77
VAL A  97
PRO A 149
 None
SAH  A 300 (-3.1A)
SAH  A 300 (-3.6A)
SAH  A 300 ( 4.2A)
SAH  A 300 (-4.2A)
SAH  A 300 (-4.0A)
 0.76A 1vq1B-2h00A:
17.7		 1vq1B-2h00A:
23.62
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.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ILE A 400
GLY A 283
GLY A 235
ILE A 216
VAL A  41
ALA A 122
 None
 1.42A 1vq1B-2ix4A:
undetectable		 1vq1B-2ix4A:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ILE A 400
GLY A 283
GLY A 235
ILE A 216
VAL A  41
ALA A 126
 None
 1.33A 1vq1B-2ix4A:
undetectable		 1vq1B-2ix4A:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ke5 RAS-RELATED PROTEIN
RAL-B

(Homo sapiens) 		PF00071
(Ras) 		6 PHE A  83
THR A  69
GLY A  88
GLY A  86
SER A  85
GLU A 175
 None
 1.35A 1vq1B-2ke5A:
undetectable		 1vq1B-2ke5A:
21.55
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.
2np3 PUTATIVE TETR-FAMILY
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 ILE A 103
GLY A 104
GLY A 201
VAL A 169
ALA A 206
 None
 1.02A 1vq1B-2np3A:
undetectable		 1vq1B-2np3A:
21.69
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.
2pr7 HALOACID
DEHALOGENASE/EPOXIDE
HYDROLASE FAMILY

(Corynebacterium
glutamicum) 		PF00702
(Hydrolase) 		5 GLY A  35
GLY A   3
VAL A  37
GLU A  55
ALA A  83
 None
 1.02A 1vq1B-2pr7A:
undetectable		 1vq1B-2pr7A:
22.95
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.
2rb7 PEPTIDASE,
M20/M25/M40 FAMILY

(Desulfovibrio
alaskensis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		6 THR A  11
ILE A 346
GLY A 107
ILE A   7
VAL A 159
ALA A  71
 None
 1.31A 1vq1B-2rb7A:
undetectable		 1vq1B-2rb7A:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE

(Escherichia
coli) 		PF01266
(DAO) 		5 ILE A 136
GLY A  93
GLY A 240
ILE A  90
PRO A 132
 None
 1.01A 1vq1B-2uzzA:
3.1		 1vq1B-2uzzA:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v9i RHAMNULOSE-1-PHOSPHA
TE ALDOLASE

(Escherichia
coli) 		PF00596
(Aldolase_II) 		5 THR A  17
ILE A  92
GLY A  91
GLY A  74
ALA A  88
 None
 0.97A 1vq1B-2v9iA:
undetectable		 1vq1B-2v9iA:
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.
2vx4 CELLVIBRIO JAPONICUS
MANNANASE CJMAN26C

(Cellvibrio
japonicus) 		PF02156
(Glyco_hydro_26) 		5 THR A 152
ILE A 333
GLY A 293
SER A 264
VAL A 324
 None
 0.84A 1vq1B-2vx4A:
undetectable		 1vq1B-2vx4A:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w31 GLOBIN

(Geobacter
sulfurreducens) 		PF11563
(Protoglobin) 		5 PHE A  25
ILE A 138
GLY A  22
GLU A 136
ALA A  28
 None
 1.02A 1vq1B-2w31A:
undetectable		 1vq1B-2w31A:
19.00
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.
2wqd PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
aureus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 ILE A 185
GLY A 206
GLY A   7
ILE A 210
ALA A  10
 None
 1.02A 1vq1B-2wqdA:
undetectable		 1vq1B-2wqdA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ww2 ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		5 THR A 254
ILE A 179
GLY A 188
VAL A 231
ALA A 170
 None
 0.94A 1vq1B-2ww2A:
undetectable		 1vq1B-2ww2A:
18.22
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.
2y8v CLASS III CHITINASE,
PUTATIVE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		5 GLY A 224
ILE A 242
VAL A 221
PHE A 253
ALA A 163
 None
 0.95A 1vq1B-2y8vA:
undetectable		 1vq1B-2y8vA:
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.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3) 		5 THR A 335
ILE A 263
GLY A 262
ILE A 332
VAL A 198
 None
 0.82A 1vq1B-2yevA:
undetectable		 1vq1B-2yevA:
16.30
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.
2z22 PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Yersinia pestis) 		no annotation 5 GLY X 176
GLY X 174
VAL X 194
GLU X 195
ALA X 182
 None
 0.89A 1vq1B-2z22X:
undetectable		 1vq1B-2z22X:
24.20
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.
3b9e CHITINASE A

(Vibrio harveyi) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 GLY A 495
GLY A 506
VAL A 501
GLU A 498
ALA A 574
 None
 1.00A 1vq1B-3b9eA:
2.1		 1vq1B-3b9eA:
20.49
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.
3eb8 CYSTEINE
PROTEASE-LIKE VIRA

(Shigella
flexneri) 		PF06872
(EspG) 		5 ILE A 353
GLY A 357
GLY A 143
PRO A 150
ALA A 151
 None
 1.03A 1vq1B-3eb8A:
undetectable		 1vq1B-3eb8A:
20.00
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.
3ecy CG4584-PA, ISOFORM A
(BCDNA.LD08534)

(Drosophila
melanogaster) 		PF00692
(dUTPase) 		5 ILE A  90
GLY A  93
VAL A  62
PHE A 117
ALA A 126
 None
 1.00A 1vq1B-3ecyA:
undetectable		 1vq1B-3ecyA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ed8 YELLOW FLUORESCENCE
PROTEIN

(Aequorea
victoria) 		PF01353
(GFP) 		5 PHE A  84
ILE A 212
GLY A  91
SER A  86
GLU A 115
 None
 0.92A 1vq1B-3ed8A:
undetectable		 1vq1B-3ed8A:
21.48
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 ILE A 170
GLY A 169
SER A 166
ILE A 127
ALA A 120
 None
 1.00A 1vq1B-3eqnA:
undetectable		 1vq1B-3eqnA:
17.15
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.
3evz METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF05175
(MTS) 		5 ILE A  87
GLY A  88
GLY A  90
VAL A 112
PRO A 157
 None
 0.51A 1vq1B-3evzA:
18.4		 1vq1B-3evzA:
26.07
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.
3is6 PUTATIVE PERMEASE
PROTEIN, ABC
TRANSPORTER

(Porphyromonas
gingivalis) 		PF12704
(MacB_PCD) 		5 ILE A 153
GLY A 185
GLY A 139
ILE A 137
ALA A 144
 None
 0.98A 1vq1B-3is6A:
undetectable		 1vq1B-3is6A:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j7y ML43
ML50

(Homo sapiens;
Homo sapiens) 		no annotation
PF01281
(Ribosomal_L9_N) 		5 ILE b  63
SER b  67
ILE h 154
VAL b  75
ALA b  43
 None
 0.75A 1vq1B-3j7yb:
undetectable		 1vq1B-3j7yb:
19.72
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.
3kb6 D-LACTATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		6 ILE A 147
GLY A 148
GLY A 150
SER A 154
VAL A 172
PRO A 203
 None
NAD  A 400 ( 3.9A)
NAD  A 400 ( 3.3A)
None
1PE  A 404 (-4.0A)
NAD  A 400 (-3.7A)
 1.42A 1vq1B-3kb6A:
6.4		 1vq1B-3kb6A:
24.80
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.
3kd9 COENZYME A DISULFIDE
REDUCTASE

(Pyrococcus
horikoshii) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		6 ILE A   9
GLY A  10
GLY A  12
SER A  41
PHE A 108
ALA A  18
 None
 1.50A 1vq1B-3kd9A:
3.1		 1vq1B-3kd9A:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l44 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 THR A  69
ILE A 314
GLY A 313
GLY A 273
ILE A  76
 None
None
None
LLP  A 270 ( 4.0A)
None
 1.01A 1vq1B-3l44A:
3.1		 1vq1B-3l44A:
23.60
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.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1
SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT BETA-1

(Sus scrofa;
Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase)
PF00287
(Na_K-ATPase) 		5 THR A 900
ILE B 283
GLY B 284
SER B 286
GLU B 281
 None
 1.02A 1vq1B-3n23A:
undetectable		 1vq1B-3n23A:
16.50
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.
3n6z PUTATIVE
IMMUNOGLOBULIN A1
PROTEASE

(Bacteroides
ovatus) 		no annotation 5 ILE A 167
GLY A 166
GLY A 206
GLU A 194
PRO A 138
 None
 0.89A 1vq1B-3n6zA:
undetectable		 1vq1B-3n6zA:
22.85
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.
3o04 BETA-KETO-ACYL
CARRIER PROTEIN
SYNTHASE II

(Listeria
monocytogenes) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ILE A 351
GLY A 236
GLY A 190
ILE A 171
VAL A  14
ALA A  78
 None
 1.38A 1vq1B-3o04A:
undetectable		 1vq1B-3o04A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o04 BETA-KETO-ACYL
CARRIER PROTEIN
SYNTHASE II

(Listeria
monocytogenes) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ILE A 351
GLY A 236
GLY A 190
ILE A 171
VAL A  14
ALA A  82
 None
 1.16A 1vq1B-3o04A:
undetectable		 1vq1B-3o04A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 THR B 268
ILE B 358
GLY B 345
GLY B 300
SER B 303
 None
 0.98A 1vq1B-3o8oB:
undetectable		 1vq1B-3o8oB:
17.01
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.
3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00561
(Abhydrolase_1) 		5 GLY A 121
GLY A 101
ILE A 242
PHE A 254
ALA A  95
 None
 1.03A 1vq1B-3oosA:
2.8		 1vq1B-3oosA:
21.34
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.
3r5g CYAB

(Pseudomonas
aeruginosa) 		PF00211
(Guanylate_cyc) 		5 THR A 229
ILE A 304
GLY A 303
ILE A 332
ALA A 265
 None
 1.02A 1vq1B-3r5gA:
undetectable		 1vq1B-3r5gA:
20.14
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.
3r68 NA(+)/H(+) EXCHANGE
REGULATORY COFACTOR
NHE-RF3

(Mus musculus) 		PF00595
(PDZ) 		5 THR A 315
ILE A 271
GLY A 254
GLY A 252
ILE A 246
 None
None
EDO  A   3 (-3.5A)
CL  A   9 ( 3.4A)
None
 1.00A 1vq1B-3r68A:
undetectable		 1vq1B-3r68A:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sm3 SAM-DEPENDENT
METHYLTRANSFERASES

(Methanosarcina
mazei) 		PF08241
(Methyltransf_11) 		5 ILE A  37
GLY A  38
GLY A  40
SER A  41
ILE A  44
 None
 0.60A 1vq1B-3sm3A:
12.8		 1vq1B-3sm3A:
22.40
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 PHE A 407
THR A 170
ILE A  21
GLY A 399
ALA A 208
 None
 0.92A 1vq1B-3t3oA:
undetectable		 1vq1B-3t3oA:
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.
3u37 ACETYL-XYLAN
ESTERASE EST2A

(Butyrivibrio
proteoclasticus) 		PF13472
(Lipase_GDSL_2) 		5 PHE A 346
GLY A 148
GLY A 353
SER A 356
ILE A 143
 None
 0.97A 1vq1B-3u37A:
3.0		 1vq1B-3u37A:
24.69
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.
4atb INTERLEUKIN
ENHANCER-BINDING
FACTOR 2
INTERLEUKIN
ENHANCER-BINDING
FACTOR 3

(Mus musculus;
Mus musculus) 		PF07528
(DZF)
PF07528
(DZF) 		5 THR B 315
ILE B 291
GLY B 290
GLY B 288
VAL A  44
 None
 1.00A 1vq1B-4atbB:
undetectable		 1vq1B-4atbB:
23.57
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.
4dcm RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G

(Escherichia
coli) 		PF05175
(MTS) 		5 PHE A 208
GLY A 236
GLY A 238
ILE A 242
PRO A 307
 SAM  A 401 (-3.6A)
SAM  A 401 (-3.5A)
SAM  A 401 ( 3.7A)
SAM  A 401 (-4.7A)
SAM  A 401 (-4.0A)
 0.54A 1vq1B-4dcmA:
17.1		 1vq1B-4dcmA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hkt INOSITOL
2-DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		6 THR A  74
ILE A  57
GLY A   9
ILE A  68
VAL A  51
GLU A  50
 None
 1.44A 1vq1B-4hktA:
6.0		 1vq1B-4hktA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ifq NUCLEOPORIN NUP192

(Saccharomyces
cerevisiae) 		PF11894
(Nup192) 		6 PHE A 828
ILE A 783
ILE A 871
PHE A 713
PRO A 826
ALA A 824
 None
 1.49A 1vq1B-4ifqA:
undetectable		 1vq1B-4ifqA:
15.95
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.
4j3z MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 PHE A 341
GLY A  21
GLY A  18
ILE A 337
GLU A 387
ALA A  13
 None
 1.46A 1vq1B-4j3zA:
undetectable		 1vq1B-4j3zA:
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.
4kq9 RIBOSE ABC
TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Conexibacter
woesei) 		PF13407
(Peripla_BP_4) 		5 ILE A 294
GLY A 293
GLY A  69
ILE A  66
ALA A  74
 None
 0.90A 1vq1B-4kq9A:
undetectable		 1vq1B-4kq9A:
23.05
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.
4kqx KETOL-ACID
REDUCTOISOMERASE

(Slackia exigua) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 ILE A 189
GLY A 184
GLY A 156
SER A 155
PRO A 140
 None
 0.99A 1vq1B-4kqxA:
5.0		 1vq1B-4kqxA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kyi VIPD

(Legionella
pneumophila) 		PF01734
(Patatin) 		5 ILE A 291
GLY A 290
GLY A  42
SER A  41
VAL A 240
 None
 1.00A 1vq1B-4kyiA:
2.1		 1vq1B-4kyiA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l60 PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 ILE A  16
GLY A  18
GLY A 218
SER A 219
VAL A  48
 None
 1.02A 1vq1B-4l60A:
undetectable		 1vq1B-4l60A:
22.71
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.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		5 THR A 161
ILE A 177
GLY A 178
ILE A 189
PRO A 296
 None
None
None
None
PLP  A 403 (-4.1A)
 1.03A 1vq1B-4lmbA:
3.1		 1vq1B-4lmbA:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4luj OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF00215
(OMPdecase) 		6 THR A  62
ILE A  77
GLY A 102
ILE A  65
VAL A 128
ALA A  93
 None
 1.44A 1vq1B-4lujA:
undetectable		 1vq1B-4lujA:
27.06
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.
4mzu WXCM-LIKE PROTEIN

(Shewanella
denitrificans) 		PF00132
(Hexapep)
PF05523
(FdtA) 		5 THR A  17
ILE A  61
GLY A  50
ILE A  31
VAL A  99
 None
 1.00A 1vq1B-4mzuA:
undetectable		 1vq1B-4mzuA:
22.16
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.
4n0q LEU/ILE/VAL-BINDING
PROTEIN HOMOLOG 3

(Brucella
melitensis) 		PF13458
(Peripla_BP_6) 		5 THR A 318
ILE A  55
GLY A  60
GLY A  63
ILE A  25
 None
 0.96A 1vq1B-4n0qA:
4.6		 1vq1B-4n0qA:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n54 INOSITOL
DEHYDROGENASE

(Lactobacillus
casei) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ILE A  19
GLY A  17
GLY A  12
GLU A 298
PHE A 295
 None
NAI  A 401 ( 4.9A)
NAI  A 401 (-3.5A)
None
NAI  A 401 (-4.9A)
 0.85A 1vq1B-4n54A:
5.9		 1vq1B-4n54A:
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.
4nzs BETA-KETOTHIOLASE
BKTB

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE A 381
GLY A  91
GLY A 356
ILE A 352
ALA A  96
 None
 0.97A 1vq1B-4nzsA:
undetectable		 1vq1B-4nzsA:
23.17
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.
4qnn PHOSPHOLIPASE A 1
FROM HORNET(VESPA
BASALIS) VENOM

(Vespa basalis) 		PF00151
(Lipase) 		6 PHE A  53
GLY A 139
GLY A  52
VAL A 109
PHE A 145
ALA A 102
 None
 1.44A 1vq1B-4qnnA:
undetectable		 1vq1B-4qnnA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wgk NEUTRAL CERAMIDASE

(Homo sapiens) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		6 PHE A 215
THR A 219
ILE A 642
GLY A 214
SER A 212
ILE A 118
 None
 1.26A 1vq1B-4wgkA:
undetectable		 1vq1B-4wgkA:
17.40
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.
4yzo PUTATIVE ACYL-COA
ACYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE A  83
GLY A  80
GLY A  77
SER A  76
ALA A 364
 None
 0.94A 1vq1B-4yzoA:
undetectable		 1vq1B-4yzoA:
24.81
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.
4z0c TOLL-LIKE RECEPTOR
13

(Mus musculus) 		PF00560
(LRR_1)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 ILE A 650
GLY A 627
GLY A 602
ILE A 607
GLU A 679
 None
None
None
None
A  B   7 ( 3.6A)
 1.03A 1vq1B-4z0cA:
undetectable		 1vq1B-4z0cA:
20.89
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.
4zxz LEVOGLUCOSAN KINASE

(Lipomyces
starkeyi) 		PF03702
(AnmK) 		5 THR A 144
ILE A 149
GLY A 111
ILE A 140
GLU A 372
 None
 0.87A 1vq1B-4zxzA:
undetectable		 1vq1B-4zxzA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5agt LEUCINE--TRNA LIGASE

(Mycobacterium
tuberculosis) 		PF13603
(tRNA-synt_1_2) 		5 THR A 341
ILE A 480
GLY A 479
GLY A 477
PRO A 493
 A2H  A1514 (-3.6A)
None
None
None
None
 0.98A 1vq1B-5agtA:
undetectable		 1vq1B-5agtA:
23.53
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.
5ao8 SOLUBLE LYTIC
TRANGLYCOSILASE B3

(Pseudomonas
aeruginosa) 		PF01471
(PG_binding_1)
PF13406
(SLT_2) 		5 ILE A 196
GLY A 230
SER A 231
ILE A 228
PRO A 191
 None
None
CA  A 997 ( 4.8A)
None
None
 1.00A 1vq1B-5ao8A:
undetectable		 1vq1B-5ao8A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 PHE A 698
GLY A 724
GLY A 700
ILE A 317
PRO A 696
 None
 1.00A 1vq1B-5bs5A:
undetectable		 1vq1B-5bs5A:
22.98
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.
5cjj PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Campylobacter
jejuni) 		PF00551
(Formyl_trans_N) 		5 THR A  58
GLY A  11
GLY A  13
ILE A  48
ALA A  91
 None
 0.89A 1vq1B-5cjjA:
3.8		 1vq1B-5cjjA:
24.73
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.
5djs TETRATRICOPEPTIDE
TPR_2 REPEAT PROTEIN

(Thermobaculum
terrenum) 		PF13181
(TPR_8)
PF13844
(Glyco_transf_41) 		5 ILE A 342
GLY A 343
VAL A  93
PRO A 418
ALA A 125
 None
 0.90A 1vq1B-5djsA:
2.2		 1vq1B-5djsA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g4i PHOSPHOLYASE

(Paenarthrobacter
aurescens) 		PF00202
(Aminotran_3) 		5 ILE A 289
GLY A 290
GLY A 120
SER A 121
PRO A 282
 None
None
PLP  A1441 (-3.8A)
PLP  A1441 (-2.5A)
None
 0.95A 1vq1B-5g4iA:
2.3		 1vq1B-5g4iA:
22.82
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.
5gvh ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[FMN]

(Thermotoga
maritima) 		PF03060
(NMO) 		5 GLY A  44
GLY A  21
ILE A  73
GLU A  59
ALA A  25
 None
FMN  A 402 (-4.2A)
FMN  A 402 (-4.9A)
None
FMN  A 402 ( 4.6A)
 1.01A 1vq1B-5gvhA:
undetectable		 1vq1B-5gvhA:
24.30
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.
5hsi PUTATIVE
DECARBOXYLASE

(Lactobacillus
brevis) 		PF00282
(Pyridoxal_deC) 		6 ILE A 306
GLY A 305
ILE A 271
VAL A 373
PHE A 380
ALA A 302
 None
 1.26A 1vq1B-5hsiA:
undetectable		 1vq1B-5hsiA:
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.
5iy2 BETA-LACTAMASE
OXA-143

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		5 ILE A 250
GLY A  53
GLY A  67
PRO A 176
ALA A  73
 None
 1.01A 1vq1B-5iy2A:
undetectable		 1vq1B-5iy2A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ILE L 245
GLY L 246
GLY L 163
ILE L 159
ALA L 455
 None
None
FAD  L 503 (-3.2A)
None
FAD  L 503 (-3.5A)
 0.97A 1vq1B-5jfcL:
2.7		 1vq1B-5jfcL:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l1t PENTALENOLACTONE
SYNTHASE

(Streptomyces
arenae) 		PF00067
(p450) 		5 ILE A  14
GLY A 279
GLY A 281
SER A 282
ALA A  18
 None
 1.02A 1vq1B-5l1tA:
undetectable		 1vq1B-5l1tA:
20.50
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.
5l73 NEUROPILIN-1

(Homo sapiens) 		PF00629
(MAM) 		5 ILE A 793
GLY A 792
GLY A 791
ILE A 683
GLU A 784
 None
 0.93A 1vq1B-5l73A:
undetectable		 1vq1B-5l73A:
18.18
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.
5lsm FMN-DEPENDENT
NITRONATE
MONOOXYGENASE

(Shewanella
oneidensis) 		PF03060
(NMO) 		5 ILE A  66
GLY A  39
ILE A  11
GLU A  54
ALA A  18
 None
None
None
None
FMN  A 401 (-3.4A)
 0.95A 1vq1B-5lsmA:
undetectable		 1vq1B-5lsmA:
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.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 5 ILE A 333
GLY A 330
GLY A 327
PHE A 337
ALA A  12
 None
 0.81A 1vq1B-5nvaA:
undetectable		 1vq1B-5nvaA:
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 GLY A 131
GLY A 133
SER A 134
VAL A 153
PRO A 196
 SAH  A 414 (-3.0A)
SAH  A 414 (-2.8A)
SAH  A 414 ( 4.4A)
SAH  A 414 (-4.2A)
SAH  A 414 ( 3.2A)
 0.55A 1vq1B-5u4tA:
15.8		 1vq1B-5u4tA:
25.49
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.
5vaw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TYPE IV
PILIN PILA

(Acinetobacter
baumannii;
Escherichia
coli) 		no annotation 5 GLY A1041
SER A1042
ILE A1047
GLU A1136
ALA A1106
 None
 1.03A 1vq1B-5vawA:
undetectable		 1vq1B-5vawA:
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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ILE A 245
GLY A 246
GLY A 163
ILE A 159
ALA A 456
 None
None
FAD  A 503 (-3.4A)
None
FAD  A 503 (-2.7A)
 0.99A 1vq1B-5vj7A:
3.0		 1vq1B-5vj7A:
21.19
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.
5w8x LIPID-A-DISACCHARIDE
SYNTHASE

(Escherichia
coli) 		no annotation 6 THR A 167
ILE A  26
GLY A  22
GLY A  18
SER A  17
PHE A  38
 None
 1.25A 1vq1B-5w8xA:
3.6		 1vq1B-5w8xA:
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.
5wnn PHOSPHATE-BINDING
PROTEIN PSTS

(Burkholderia
pseudomallei) 		PF12849
(PBP_like_2) 		5 GLY A 196
GLY A 194
VAL A 214
GLU A 215
ALA A 202
 None
 0.93A 1vq1B-5wnnA:
undetectable		 1vq1B-5wnnA:
24.01