SIMILAR PATTERNS OF AMINO ACIDS FOR 1XVA_A_ACTA294_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.
1ajz DIHYDROPTEROATE
SYNTHASE

(Escherichia
coli) 		PF00809
(Pterin_bind) 		4 ILE A  79
LEU A  37
ALA A  84
GLU A  83
 None
 0.99A 1xvaA-1ajzA:
undetectable
1xvaB-1ajzA:
undetectable		 1xvaA-1ajzA:
22.32
1xvaB-1ajzA:
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.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 ILE A 358
LEU A 342
ALA A 387
GLU A 363
 None
 0.91A 1xvaA-1dedA:
undetectable
1xvaB-1dedA:
undetectable		 1xvaA-1dedA:
18.76
1xvaB-1dedA:
18.76
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.
1eyy ALDEHYDE
DEHYDROGENASE

(Vibrio harveyi) 		PF00171
(Aldedh) 		4 ILE A 183
LEU A 150
ALA A  76
GLU A  79
 None
 0.88A 1xvaA-1eyyA:
4.0
1xvaB-1eyyA:
4.0		 1xvaA-1eyyA:
20.16
1xvaB-1eyyA:
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.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		4 TRP A 473
ILE A 223
LEU A 135
ALA A 474
 None
 0.94A 1xvaA-1gqrA:
2.0
1xvaB-1gqrA:
2.0		 1xvaA-1gqrA:
18.66
1xvaB-1gqrA:
18.66
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.
1i2o TRANSALDOLASE B

(Escherichia
coli) 		PF00923
(TAL_FSA) 		4 ILE A 151
LEU A 133
ALA A 143
GLU A 147
 None
 0.88A 1xvaA-1i2oA:
undetectable
1xvaB-1i2oA:
undetectable		 1xvaA-1i2oA:
21.43
1xvaB-1i2oA:
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.
1k4y LIVER
CARBOXYLESTERASE

(Oryctolagus
cuniculus) 		PF00135
(COesterase) 		4 TRP A 499
ILE A 244
LEU A 157
ALA A 500
 None
 0.90A 1xvaA-1k4yA:
2.2
1xvaB-1k4yA:
2.3		 1xvaA-1k4yA:
20.80
1xvaB-1k4yA:
20.80
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 ILE A 358
LEU A 342
ALA A 387
GLU A 363
 None
 0.97A 1xvaA-1kclA:
undetectable
1xvaB-1kclA:
undetectable		 1xvaA-1kclA:
17.32
1xvaB-1kclA:
17.32
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.
1miv TRNA CCA-ADDING
ENZYME

(Geobacillus
stearothermophilus) 		PF01743
(PolyA_pol)
PF12627
(PolyA_pol_RNAbd)
PF13735
(tRNA_NucTran2_2) 		4 ILE A 291
LEU A 302
ALA A 310
GLU A 314
 None
 1.15A 1xvaA-1mivA:
undetectable
1xvaB-1mivA:
undetectable		 1xvaA-1mivA:
19.90
1xvaB-1mivA:
19.90
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.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 ILE A 359
LEU A 343
ALA A 388
GLU A 364
 None
 1.03A 1xvaA-1qhoA:
undetectable
1xvaB-1qhoA:
undetectable		 1xvaA-1qhoA:
18.16
1xvaB-1qhoA:
18.16
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.
1ry2 ACETYL-COENZYME A
SYNTHETASE 1

(Saccharomyces
cerevisiae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 ILE A 596
LEU A 668
ALA A 605
GLU A 592
 None
 1.29A 1xvaA-1ry2A:
3.5
1xvaB-1ry2A:
undetectable		 1xvaA-1ry2A:
18.82
1xvaB-1ry2A:
18.82
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.
1wod MODA

(Escherichia
coli) 		PF13531
(SBP_bac_11) 		4 ILE A 127
LEU A  85
ALA A 132
GLU A 131
 None
 1.13A 1xvaA-1wodA:
undetectable
1xvaB-1wodA:
undetectable		 1xvaA-1wodA:
23.62
1xvaB-1wodA:
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.
1xn5 BH1534 UNKNOWN
CONSERVED PROTEIN

(Bacillus
halodurans) 		PF08327
(AHSA1) 		4 TRP A 100
ILE A   7
LEU A   4
ALA A 115
 None
 1.06A 1xvaA-1xn5A:
undetectable
1xvaB-1xn5A:
undetectable		 1xvaA-1xn5A:
17.47
1xvaB-1xn5A:
17.47
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.
1z6r MLC PROTEIN

(Escherichia
coli) 		PF00480
(ROK) 		4 ILE A 163
LEU A 125
ALA A 181
GLU A 180
 None
 1.26A 1xvaA-1z6rA:
undetectable
1xvaB-1z6rA:
undetectable		 1xvaA-1z6rA:
22.66
1xvaB-1z6rA:
22.66
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.
2bkr SENTRIN-SPECIFIC
PROTEASE 8

(Homo sapiens) 		PF02902
(Peptidase_C48) 		4 ILE A 168
LEU A 190
ALA A 173
GLU A 172
 None
 1.32A 1xvaA-2bkrA:
undetectable
1xvaB-2bkrA:
undetectable		 1xvaA-2bkrA:
19.87
1xvaB-2bkrA:
19.87
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.
2boa CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 TRP A1294
ILE A1096
LEU A1295
GLU A1302
 None
 1.22A 1xvaA-2boaA:
undetectable
1xvaB-2boaA:
undetectable		 1xvaA-2boaA:
20.97
1xvaB-2boaA:
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.
2e9f ARGININOSUCCINATE
LYASE

(Thermus
thermophilus) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		4 ILE A 126
LEU A 133
ALA A 183
GLU A 187
 None
 0.98A 1xvaA-2e9fA:
undetectable
1xvaB-2e9fA:
undetectable		 1xvaA-2e9fA:
22.10
1xvaB-2e9fA:
22.10
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.
2ejc PANTOATE--BETA-ALANI
NE LIGASE

(Thermotoga
maritima) 		PF02569
(Pantoate_ligase) 		4 ILE A 278
LEU A 250
ALA A 151
GLU A 172
 None
 1.28A 1xvaA-2ejcA:
undetectable
1xvaB-2ejcA:
undetectable		 1xvaA-2ejcA:
19.81
1xvaB-2ejcA:
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.
2f9i ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Staphylococcus
aureus) 		PF01039
(Carboxyl_trans) 		4 ILE B  67
LEU B  61
ALA B  69
GLU B  68
 None
 1.27A 1xvaA-2f9iB:
undetectable
1xvaB-2f9iB:
undetectable		 1xvaA-2f9iB:
20.94
1xvaB-2f9iB:
20.94
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.
2gmg HYPOTHETICAL PROTEIN
PF0610

(Pyrococcus
furiosus) 		no annotation 4 ILE A  17
LEU A  63
ALA A  56
GLU A  59
 None
 1.21A 1xvaA-2gmgA:
undetectable
1xvaB-2gmgA:
undetectable		 1xvaA-2gmgA:
18.77
1xvaB-2gmgA:
18.77
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.
2gyq YCFI, PUTATIVE
STRUCTURAL PROTEIN

(Rhodopseudomonas
palustris) 		PF05974
(DUF892) 		4 ILE A  29
LEU A  49
ALA A 110
GLU A 114
 None
None
None
ZN  A 409 ( 2.3A)
 0.93A 1xvaA-2gyqA:
undetectable
1xvaB-2gyqA:
undetectable		 1xvaA-2gyqA:
23.13
1xvaB-2gyqA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ixl DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE

(Streptococcus
suis) 		PF00908
(dTDP_sugar_isom) 		4 TRP A 168
ILE A 166
LEU A 171
ALA A 160
 None
 0.96A 1xvaA-2ixlA:
undetectable
1xvaB-2ixlA:
undetectable		 1xvaA-2ixlA:
21.00
1xvaB-2ixlA:
21.00
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.
2ma3 DNA REPLICATION
INITIATOR
(CDC21/CDC54)

(Methanothermobacter
thermautotrophicus) 		no annotation 4 ILE A 655
LEU A 627
ALA A 622
GLU A 615
 None
 1.30A 1xvaA-2ma3A:
undetectable
1xvaB-2ma3A:
undetectable		 1xvaA-2ma3A:
16.37
1xvaB-2ma3A:
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.
2myg DITHIOL GLUTAREDOXIN
1

(Trypanosoma
brucei) 		PF00462
(Glutaredoxin) 		4 ILE A  40
LEU A  83
ALA A  29
GLU A  30
 None
 1.24A 1xvaA-2mygA:
undetectable
1xvaB-2mygA:
undetectable		 1xvaA-2mygA:
15.96
1xvaB-2mygA:
15.96
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.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE

(Arabidopsis
thaliana) 		PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 ILE A 110
LEU A 294
ALA A 115
GLU A 117
 None
 1.29A 1xvaA-2o7qA:
2.7
1xvaB-2o7qA:
4.5		 1xvaA-2o7qA:
20.11
1xvaB-2o7qA:
20.11
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.
2pmz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'

(Sulfolobus
solfataricus) 		PF04998
(RNA_pol_Rpb1_5) 		4 ILE C 241
LEU C 138
ALA C 141
GLU C 145
 None
 1.29A 1xvaA-2pmzC:
undetectable
1xvaB-2pmzC:
undetectable		 1xvaA-2pmzC:
21.34
1xvaB-2pmzC:
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 ILE A 193
LEU A 161
ALA A 514
GLU A 517
 None
 1.13A 1xvaA-2wskA:
undetectable
1xvaB-2wskA:
undetectable		 1xvaA-2wskA:
18.42
1xvaB-2wskA:
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.
2wsx L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Escherichia
coli) 		PF02028
(BCCT) 		4 TRP A 239
ILE A 235
LEU A 208
ALA A 211
 None
 0.99A 1xvaA-2wsxA:
undetectable
1xvaB-2wsxA:
undetectable		 1xvaA-2wsxA:
20.85
1xvaB-2wsxA:
20.85
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.
2wzf GLUCOSYLTRANSFERASE

(Legionella
pneumophila) 		PF16849
(Glyco_transf_88) 		4 TRP A 234
ILE A 453
LEU A 208
ALA A 313
 None
 0.88A 1xvaA-2wzfA:
undetectable
1xvaB-2wzfA:
undetectable		 1xvaA-2wzfA:
19.85
1xvaB-2wzfA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wzg GLUCOSYLTRANSFERASE

(Legionella
pneumophila) 		PF16849
(Glyco_transf_88) 		4 TRP A 234
ILE A 453
LEU A 208
ALA A 313
 None
 0.84A 1xvaA-2wzgA:
undetectable
1xvaB-2wzgA:
undetectable		 1xvaA-2wzgA:
18.84
1xvaB-2wzgA:
18.84
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.
2xsj SULFUR RELAY
PROTEIN,
TUSE/DSRC/DSVC
FAMILY

(Desulfomicrobium
norvegicum) 		PF04358
(DsrC) 		4 ILE C  39
LEU C  50
ALA C  30
GLU C  31
 None
 1.00A 1xvaA-2xsjC:
undetectable
1xvaB-2xsjC:
undetectable		 1xvaA-2xsjC:
18.43
1xvaB-2xsjC:
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.
3bwg UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR YYDK

(Bacillus
subtilis) 		PF00392
(GntR)
PF07702
(UTRA) 		4 ILE A  56
LEU A  49
ALA A   8
GLU A  12
 None
 1.18A 1xvaA-3bwgA:
undetectable
1xvaB-3bwgA:
undetectable		 1xvaA-3bwgA:
21.55
1xvaB-3bwgA:
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.
3ctz XAA-PRO
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		4 TRP A 207
ILE A 315
LEU A 495
ALA A 206
 None
 1.17A 1xvaA-3ctzA:
undetectable
1xvaB-3ctzA:
undetectable		 1xvaA-3ctzA:
20.59
1xvaB-3ctzA:
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.
3dez OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Streptococcus
mutans) 		PF00156
(Pribosyltran) 		4 ILE A 120
LEU A 170
ALA A 150
GLU A 122
 None
 1.27A 1xvaA-3dezA:
3.0
1xvaB-3dezA:
2.9		 1xvaA-3dezA:
22.93
1xvaB-3dezA:
22.93
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.
3ehe UDP-GLUCOSE
4-EPIMERASE (GALE-1)

(Archaeoglobus
fulgidus) 		PF01370
(Epimerase) 		4 ILE A 162
LEU A 143
ALA A 147
GLU A 150
 None
 0.82A 1xvaA-3eheA:
6.6
1xvaB-3eheA:
6.7		 1xvaA-3eheA:
19.58
1xvaB-3eheA:
19.58
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.
3ekm DIAMINOPIMELATE
EPIMERASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01678
(DAP_epimerase) 		4 ILE A 192
LEU A 239
ALA A 265
GLU A 268
 None
 0.95A 1xvaA-3ekmA:
undetectable
1xvaB-3ekmA:
undetectable		 1xvaA-3ekmA:
20.88
1xvaB-3ekmA:
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.
3eo7 PUTATIVE
NITROREDUCTASE

(Trichormus
variabilis) 		PF00881
(Nitroreductase) 		4 ILE A 379
LEU A 440
ALA A 499
GLU A 498
 None
None
PGR  A 716 ( 4.9A)
None
 1.14A 1xvaA-3eo7A:
undetectable
1xvaB-3eo7A:
undetectable		 1xvaA-3eo7A:
21.40
1xvaB-3eo7A:
21.40
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.
3ewi N-ACYLNEURAMINATE
CYTIDYLYLTRANSFERASE

(Mus musculus) 		no annotation 4 ILE A 138
LEU A 105
ALA A 147
GLU A 150
 None
 1.24A 1xvaA-3ewiA:
2.5
1xvaB-3ewiA:
2.7		 1xvaA-3ewiA:
21.16
1xvaB-3ewiA:
21.16
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.
3gsi N,N-DIMETHYLGLYCINE
OXIDASE

(Arthrobacter
globiformis) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		4 ILE A 390
LEU A 398
ALA A 217
GLU A 350
 None
 1.19A 1xvaA-3gsiA:
3.2
1xvaB-3gsiA:
3.1		 1xvaA-3gsiA:
17.72
1xvaB-3gsiA:
17.72
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.
3hzh CHEMOTAXIS OPERON
PROTEIN (CHEX)

(Borreliella
burgdorferi) 		PF13690
(CheX) 		4 ILE B   6
LEU B  33
ALA B 138
GLU B 137
 None
 1.32A 1xvaA-3hzhB:
undetectable
1xvaB-3hzhB:
undetectable		 1xvaA-3hzhB:
20.60
1xvaB-3hzhB:
20.60
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		4 ILE 3 506
LEU 3 617
ALA 3 406
GLU 3 405
 None
 1.09A 1xvaA-3i9v3:
3.2
1xvaB-3i9v3:
2.9		 1xvaA-3i9v3:
16.82
1xvaB-3i9v3:
16.82
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.
3j3i CAPSID PROTEIN

(Penicillium
chrysogenum
virus) 		no annotation 4 ILE A 315
LEU A 375
ALA A 331
GLU A 330
 None
 1.31A 1xvaA-3j3iA:
undetectable
1xvaB-3j3iA:
undetectable		 1xvaA-3j3iA:
15.22
1xvaB-3j3iA:
15.22
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.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		4 TRP A1500
ILE A1244
LEU A1157
ALA A1501
 None
 0.96A 1xvaA-3k9bA:
2.4
1xvaB-3k9bA:
2.4		 1xvaA-3k9bA:
20.68
1xvaB-3k9bA:
20.68
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		4 ILE A 231
LEU A 252
ALA A 234
GLU A 239
 None
 1.34A 1xvaA-3mduA:
undetectable
1xvaB-3mduA:
undetectable		 1xvaA-3mduA:
21.54
1xvaB-3mduA:
21.54
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.
3mn1 PROBABLE YRBI FAMILY
PHOSPHATASE

(Pseudomonas
savastanoi) 		PF08282
(Hydrolase_3) 		4 ILE A 147
LEU A 114
ALA A 156
GLU A 159
 None
 1.26A 1xvaA-3mn1A:
3.2
1xvaB-3mn1A:
3.5		 1xvaA-3mn1A:
22.34
1xvaB-3mn1A:
22.34
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.
3n0q PUTATIVE
AROMATIC-RING
HYDROXYLATING
DIOXYGENASE

(Ruegeria sp.
TM1040) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 TRP A 328
ILE A 310
LEU A 345
ALA A 178
 None
 1.30A 1xvaA-3n0qA:
undetectable
1xvaB-3n0qA:
undetectable		 1xvaA-3n0qA:
21.84
1xvaB-3n0qA:
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.
3npi TETR FAMILY
REGULATORY PROTEIN

(Corynebacterium
diphtheriae) 		PF00440
(TetR_N) 		4 ILE A 176
LEU A  76
ALA A 111
GLU A 110
 None
 1.22A 1xvaA-3npiA:
undetectable
1xvaB-3npiA:
undetectable		 1xvaA-3npiA:
23.99
1xvaB-3npiA:
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.
3pmk NUCLEOCAPSID PROTEIN

(Recombinant
vesicular
stomatitis
Indiana virus
rVSV-G/GFP) 		PF00945
(Rhabdo_ncap) 		4 TRP A 300
ILE A 249
LEU A 327
ALA A 296
 None
 1.31A 1xvaA-3pmkA:
undetectable
1xvaB-3pmkA:
undetectable		 1xvaA-3pmkA:
23.84
1xvaB-3pmkA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN

(Listeria
monocytogenes) 		PF02126
(PTE) 		4 ILE A 255
LEU A 220
ALA A 250
GLU A 248
 None
 1.16A 1xvaA-3pnzA:
undetectable
1xvaB-3pnzA:
undetectable		 1xvaA-3pnzA:
23.68
1xvaB-3pnzA:
23.68
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.
3rd8 FUMARATE HYDRATASE
CLASS II

(Mycolicibacterium
smegmatis) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 ILE A 147
LEU A 368
ALA A 152
GLU A 151
 None
 1.26A 1xvaA-3rd8A:
undetectable
1xvaB-3rd8A:
undetectable		 1xvaA-3rd8A:
22.53
1xvaB-3rd8A:
22.53
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.
3w0s HYGROMYCIN-B
4-O-KINASE

(Escherichia
coli) 		PF01636
(APH) 		4 ILE A 296
LEU A 271
ALA A 177
GLU A 180
 None
 1.30A 1xvaA-3w0sA:
undetectable
1xvaB-3w0sA:
undetectable		 1xvaA-3w0sA:
21.51
1xvaB-3w0sA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wkh CELLOBIOSE
2-EPIMERASE

(Rhodothermus
marinus) 		PF07221
(GlcNAc_2-epim) 		4 ILE A 261
LEU A 240
ALA A 263
GLU A 262
 None
None
None
BMA  A 502 (-3.5A)
 1.13A 1xvaA-3wkhA:
undetectable
1xvaB-3wkhA:
undetectable		 1xvaA-3wkhA:
22.25
1xvaB-3wkhA:
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.
3ze6 PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT

(Desulfovibrio
vulgaris) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 ILE A  58
LEU A  13
ALA A 104
GLU A 107
 None
 1.04A 1xvaA-3ze6A:
undetectable
1xvaB-3ze6A:
undetectable		 1xvaA-3ze6A:
22.70
1xvaB-3ze6A:
22.70
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.
4apb FUMARATE HYDRATASE
CLASS II

(Mycobacterium
tuberculosis) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 ILE A 149
LEU A 370
ALA A 154
GLU A 153
 None
 1.29A 1xvaA-4apbA:
undetectable
1xvaB-4apbA:
undetectable		 1xvaA-4apbA:
22.37
1xvaB-4apbA:
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.
4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF14574
(DUF4445) 		4 ILE I 562
LEU I 525
ALA I 534
GLU I 533
 None
 1.13A 1xvaA-4c1nI:
undetectable
1xvaB-4c1nI:
undetectable		 1xvaA-4c1nI:
19.69
1xvaB-4c1nI:
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.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ILE A 633
LEU A 646
ALA A 465
GLU A 474
 None
 1.27A 1xvaA-4c7vA:
3.1
1xvaB-4c7vA:
2.8		 1xvaA-4c7vA:
19.31
1xvaB-4c7vA:
19.31
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.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 ILE A 358
LEU A 342
ALA A 387
GLU A 363
 None
 1.07A 1xvaA-4cgtA:
undetectable
1xvaB-4cgtA:
undetectable		 1xvaA-4cgtA:
17.38
1xvaB-4cgtA:
17.38
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.
4d4g APNAA1

(Planktothrix
agardhii) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ILE A 296
LEU A 332
ALA A 179
GLU A 204
 None
None
None
GOL  A1490 ( 4.9A)
 1.03A 1xvaA-4d4gA:
2.6
1xvaB-4d4gA:
2.8		 1xvaA-4d4gA:
20.14
1xvaB-4d4gA:
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.
4di5 5-EPI-ARISTOLOCHENE
SYNTHASE

(Nicotiana
tabacum) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 ILE A 173
LEU A 147
ALA A 141
GLU A 138
 None
 1.22A 1xvaA-4di5A:
undetectable
1xvaB-4di5A:
undetectable		 1xvaA-4di5A:
20.76
1xvaB-4di5A:
20.76
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.
4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Bacillus
anthracis) 		PF02222
(ATP-grasp)
PF02826
(2-Hacid_dh_C) 		4 ILE A 266
LEU A 246
ALA A 113
GLU A 110
 ILE  A 266 ( 0.7A)
LEU  A 246 ( 0.6A)
ALA  A 113 ( 0.0A)
GLU  A 110 ( 0.6A)
 1.29A 1xvaA-4dlkA:
2.8
1xvaB-4dlkA:
2.6		 1xvaA-4dlkA:
20.90
1xvaB-4dlkA:
20.90
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.
4dyu DNA PROTECTION
DURING STARVATION
PROTEIN

(Yersinia pestis) 		PF00210
(Ferritin) 		4 ILE A 127
LEU A 159
ALA A 122
GLU A 123
 None
 1.18A 1xvaA-4dyuA:
undetectable
1xvaB-4dyuA:
undetectable		 1xvaA-4dyuA:
22.87
1xvaB-4dyuA:
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.
4eq5 DNA LIGASE

(Thermococcus
sibiricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 ILE A 433
LEU A 249
ALA A 397
GLU A 398
 None
 1.12A 1xvaA-4eq5A:
undetectable
1xvaB-4eq5A:
undetectable		 1xvaA-4eq5A:
20.14
1xvaB-4eq5A:
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.
4fgw GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(+)] 1

(Saccharomyces
cerevisiae) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		4 ILE A 342
LEU A 250
ALA A 338
GLU A 329
 None
 1.06A 1xvaA-4fgwA:
4.2
1xvaB-4fgwA:
3.7		 1xvaA-4fgwA:
21.20
1xvaB-4fgwA:
21.20
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.
4fhn NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		4 ILE B 885
LEU B 933
ALA B 936
GLU B 940
 None
 1.34A 1xvaA-4fhnB:
undetectable
1xvaB-4fhnB:
undetectable		 1xvaA-4fhnB:
12.92
1xvaB-4fhnB:
12.92
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.
4fqd NIKO PROTEIN

(Streptomyces
tendae) 		PF00275
(EPSP_synthase) 		4 ILE A 380
LEU A 389
ALA A 372
GLU A 376
 None
 0.95A 1xvaA-4fqdA:
undetectable
1xvaB-4fqdA:
undetectable		 1xvaA-4fqdA:
23.64
1xvaB-4fqdA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ga6 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 ILE A 324
LEU A 177
ALA A 337
GLU A 336
 None
 1.25A 1xvaA-4ga6A:
undetectable
1xvaB-4ga6A:
undetectable		 1xvaA-4ga6A:
20.24
1xvaB-4ga6A:
20.24
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.
4go4 PUTATIVE
GAMMA-HYDROXYMUCONIC
SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
WBC-3) 		PF00171
(Aldedh) 		4 ILE A  20
LEU A   5
ALA A  37
GLU A  38
 None
 1.25A 1xvaA-4go4A:
4.5
1xvaB-4go4A:
3.4		 1xvaA-4go4A:
22.43
1xvaB-4go4A:
22.43
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.
4h1x PHOSPHATE-BINDING
PROTEIN PSTS 2

(Streptococcus
pneumoniae) 		PF12849
(PBP_like_2) 		4 ILE A 151
LEU A 195
ALA A 254
GLU A 167
 None
 1.10A 1xvaA-4h1xA:
undetectable
1xvaB-4h1xA:
undetectable		 1xvaA-4h1xA:
22.47
1xvaB-4h1xA:
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.
4hdo KREV INTERACTION
TRAPPED PROTEIN 1

(Homo sapiens) 		PF00373
(FERM_M) 		4 ILE A 530
LEU A 626
ALA A 535
GLU A 534
 None
 1.09A 1xvaA-4hdoA:
undetectable
1xvaB-4hdoA:
undetectable		 1xvaA-4hdoA:
21.16
1xvaB-4hdoA:
21.16
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.
4hn9 IRON COMPLEX
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

([Eubacterium]
eligens) 		PF01497
(Peripla_BP_2) 		4 ILE A 158
LEU A 142
ALA A 150
GLU A 154
 None
 0.99A 1xvaA-4hn9A:
undetectable
1xvaB-4hn9A:
undetectable		 1xvaA-4hn9A:
22.10
1xvaB-4hn9A:
22.10
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.
4il3 STE24P

(Saccharomyces
mikatae) 		PF01435
(Peptidase_M48)
PF16491
(Peptidase_M48_N) 		4 ILE A 291
LEU A 413
ALA A 409
GLU A 290
 None
 1.32A 1xvaA-4il3A:
undetectable
1xvaB-4il3A:
undetectable		 1xvaA-4il3A:
22.58
1xvaB-4il3A:
22.58
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.
4li3 CYSTEINE SYNTHASE

(Haemophilus
influenzae) 		PF00291
(PALP) 		4 ILE X 229
LEU X 238
ALA X 201
GLU X 203
 LLP  X  42 ( 4.7A)
None
None
None
 1.27A 1xvaA-4li3X:
undetectable
1xvaB-4li3X:
undetectable		 1xvaA-4li3X:
23.36
1xvaB-4li3X:
23.36
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.
4lm8 EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT MTRC

(Shewanella
oneidensis) 		PF14522
(Cytochrome_C7) 		4 ILE A 180
LEU A  91
ALA A 103
GLU A  94
 HEC  A 803 (-3.8A)
None
None
None
 1.21A 1xvaA-4lm8A:
undetectable
1xvaB-4lm8A:
undetectable		 1xvaA-4lm8A:
17.37
1xvaB-4lm8A:
17.37
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.
4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C

(Homo sapiens) 		PF10294
(Methyltransf_16) 		4 ILE A 128
LEU A 149
ALA A 139
GLU A 118
 None
None
None
UNX  A1016 ( 2.6A)
 1.35A 1xvaA-4mtlA:
13.3
1xvaB-4mtlA:
13.1		 1xvaA-4mtlA:
24.28
1xvaB-4mtlA:
24.28
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.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		4 TRP A 473
ILE A 223
LEU A 135
ALA A 474
 None
 1.10A 1xvaA-4qwwA:
undetectable
1xvaB-4qwwA:
undetectable		 1xvaA-4qwwA:
21.32
1xvaB-4qwwA:
21.32
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.
4uoz BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 ILE A 423
LEU A 233
ALA A 428
GLU A 430
 None
 1.22A 1xvaA-4uozA:
undetectable
1xvaB-4uozA:
undetectable		 1xvaA-4uozA:
17.88
1xvaB-4uozA:
17.88
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.
4xe7 UNCHARACTERIZED
PROTEIN

(Bacillus
thuringiensis) 		no annotation 4 ILE A 391
LEU A 210
ALA A 226
GLU A 230
 None
 1.27A 1xvaA-4xe7A:
undetectable
1xvaB-4xe7A:
undetectable		 1xvaA-4xe7A:
20.74
1xvaB-4xe7A:
20.74
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.
4xzb CELA

(Geobacillus sp.
70PC53) 		PF00150
(Cellulase) 		4 TRP A 262
ILE A 252
ALA A 306
GLU A 305
 None
 1.08A 1xvaA-4xzbA:
undetectable
1xvaB-4xzbA:
undetectable		 1xvaA-4xzbA:
20.90
1xvaB-4xzbA:
20.90
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.
5a40 PUTATIVE FLUORIDE
ION TRANSPORTER CRCB

(Bordetella
pertussis) 		PF02537
(CRCB) 		4 TRP A  66
ILE A  67
LEU A   7
ALA A  11
 None
 1.21A 1xvaA-5a40A:
undetectable
1xvaB-5a40A:
undetectable		 1xvaA-5a40A:
19.03
1xvaB-5a40A:
19.03
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.
5bp1 MYCOCEROSIC ACID
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ILE A 745
LEU A 657
ALA A 747
GLU A 746
 None
 1.18A 1xvaA-5bp1A:
undetectable
1xvaB-5bp1A:
undetectable		 1xvaA-5bp1A:
15.59
1xvaB-5bp1A:
15.59
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.
5bsw 4-COUMARATE--COA
LIGASE 2

(Nicotiana
tabacum) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ILE A 238
LEU A 341
ALA A 338
GLU A 337
 None
None
None
4UW  A 600 ( 4.6A)
 1.21A 1xvaA-5bswA:
3.3
1xvaB-5bswA:
2.3		 1xvaA-5bswA:
18.81
1xvaB-5bswA:
18.81
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.
5cdo DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B

(Staphylococcus
aureus) 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 ILE B 612
LEU B 608
ALA B 614
GLU B 613
 None
 1.20A 1xvaA-5cdoB:
undetectable
1xvaB-5cdoB:
undetectable		 1xvaA-5cdoB:
21.93
1xvaB-5cdoB:
21.93
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.
5d68 KREV INTERACTION
TRAPPED PROTEIN 1

(Homo sapiens) 		PF00373
(FERM_M)
PF13857
(Ank_5) 		4 ILE A 530
LEU A 626
ALA A 535
GLU A 534
 None
 1.05A 1xvaA-5d68A:
undetectable
1xvaB-5d68A:
undetectable		 1xvaA-5d68A:
17.99
1xvaB-5d68A:
17.99
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.
5d8g TRYPTOPHANASE

(Escherichia
coli) 		PF01212
(Beta_elim_lyase) 		4 ILE A  31
LEU A 452
ALA A 380
GLU A 384
 None
 1.17A 1xvaA-5d8gA:
3.5
1xvaB-5d8gA:
3.5		 1xvaA-5d8gA:
21.74
1xvaB-5d8gA:
21.74
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.
5ey5 LBCA-B

(synthetic
construct) 		PF00291
(PALP) 		4 ILE B 259
LEU B 284
ALA B 265
GLU B 253
 None
 1.27A 1xvaA-5ey5B:
2.6
1xvaB-5ey5B:
2.6		 1xvaA-5ey5B:
23.50
1xvaB-5ey5B:
23.50
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.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		4 TRP A 481
ILE A 227
LEU A 140
ALA A 482
 None
 0.96A 1xvaA-5fv4A:
undetectable
1xvaB-5fv4A:
undetectable		 1xvaA-5fv4A:
18.81
1xvaB-5fv4A:
18.81
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.
5gjk SWI/SNF COMPLEX
SUBUNIT SMARCC1

(Homo sapiens) 		PF04433
(SWIRM) 		4 TRP A 531
ILE A 465
LEU A 533
ALA A 454
 None
 0.74A 1xvaA-5gjkA:
undetectable
1xvaB-5gjkA:
undetectable		 1xvaA-5gjkA:
14.73
1xvaB-5gjkA:
14.73
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.
5hl6 PUTATIVE GAF SENSOR
PROTEIN

(Burkholderia
vietnamiensis) 		PF13185
(GAF_2) 		4 TRP A 162
ILE A 129
LEU A  33
ALA A 161
 None
 1.30A 1xvaA-5hl6A:
undetectable
1xvaB-5hl6A:
undetectable		 1xvaA-5hl6A:
20.00
1xvaB-5hl6A:
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.
5jqe SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,CASPASE-8
CHIMERA

(Escherichia
coli) 		PF01335
(DED)
PF13416
(SBP_bac_8) 		4 ILE A1069
LEU A1140
ALA A1020
GLU A1017
 None
 1.34A 1xvaA-5jqeA:
undetectable
1xvaB-5jqeA:
undetectable		 1xvaA-5jqeA:
18.87
1xvaB-5jqeA:
18.87
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.
5jsy PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT

(Desulfovibrio
vulgaris) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 ILE A  58
LEU A  13
ALA A 104
GLU A 107
 None
 0.97A 1xvaA-5jsyA:
undetectable
1xvaB-5jsyA:
undetectable		 1xvaA-5jsyA:
23.12
1xvaB-5jsyA:
23.12
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.
5k52 ALDEHYDE
DECARBONYLASE

(Limnothrix sp.
KNUA012) 		PF11266
(Ald_deCOase) 		4 ILE A 103
LEU A 155
ALA A 162
GLU A 165
 None
 1.11A 1xvaA-5k52A:
undetectable
1xvaB-5k52A:
undetectable		 1xvaA-5k52A:
21.64
1xvaB-5k52A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 4 ILE A 402
LEU A 329
ALA A 345
GLU A 348
 None
 0.73A 1xvaA-5lewA:
undetectable
1xvaB-5lewA:
undetectable		 1xvaA-5lewA:
15.05
1xvaB-5lewA:
15.05
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.
5msy GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		4 ILE A 102
LEU A  65
ALA A  74
GLU A  73
 NH3  A 509 (-4.0A)
None
None
None
 1.22A 1xvaA-5msyA:
undetectable
1xvaB-5msyA:
undetectable		 1xvaA-5msyA:
20.17
1xvaB-5msyA:
20.17
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.
5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2

(Homo sapiens) 		no annotation 4 ILE B  97
LEU B 247
ALA B  34
GLU B  35
 None
None
None
ATP  B 702 (-4.0A)
 1.34A 1xvaA-5ofbB:
undetectable
1xvaB-5ofbB:
undetectable		 1xvaA-5ofbB:
undetectable
1xvaB-5ofbB:
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.
5olp PECTATE LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 ILE A 193
LEU A 198
ALA A 172
GLU A 175
 None
 1.04A 1xvaA-5olpA:
undetectable
1xvaB-5olpA:
undetectable		 1xvaA-5olpA:
20.18
1xvaB-5olpA:
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.
5u0p MEDIATOR COMPLEX
SUBUNIT 14

(Schizosaccharomyces
pombe) 		PF08638
(Med14) 		4 ILE N 424
LEU N 471
ALA N 453
GLU N 454
 None
 1.28A 1xvaA-5u0pN:
undetectable
1xvaB-5u0pN:
undetectable		 1xvaA-5u0pN:
16.00
1xvaB-5u0pN:
16.00
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.
5uv2 (+)-LIMONENE
SYNTHASE

(Citrus sinensis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 ILE A 445
LEU A 415
ALA A 418
GLU A 422
 None
None
None
MN  A 702 ( 4.5A)
 1.32A 1xvaA-5uv2A:
undetectable
1xvaB-5uv2A:
undetectable		 1xvaA-5uv2A:
18.34
1xvaB-5uv2A:
18.34
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.
5wy5 NON-STRUCTURAL
MAINTENANCE OF
CHROMOSOMES ELEMENT
1 HOMOLOG

(Homo sapiens) 		PF07574
(SMC_Nse1)
PF08746
(zf-RING-like) 		4 ILE A  69
LEU A  22
ALA A  85
GLU A 175
 None
 1.23A 1xvaA-5wy5A:
undetectable
1xvaB-5wy5A:
undetectable		 1xvaA-5wy5A:
24.60
1xvaB-5wy5A:
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.
6bnf PHOSPHOETHANOLAMINE
TRANSFERASE

(Moraxella sp.
HMSC061H09) 		no annotation 4 TRP A 530
ILE A 480
LEU A 529
ALA A 492
 None
 1.20A 1xvaA-6bnfA:
2.3
1xvaB-6bnfA:
undetectable		 1xvaA-6bnfA:
undetectable
1xvaB-6bnfA:
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.
6co9 PROBABLE
COA-TRANSFERASE BETA
SUBUNIT

(Rhodococcus
jostii) 		no annotation 4 ILE B  16
LEU B  36
ALA B  11
GLU B  12
 None
 1.25A 1xvaA-6co9B:
2.1
1xvaB-6co9B:
undetectable		 1xvaA-6co9B:
undetectable
1xvaB-6co9B:
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.
6cza -

(-) 		no annotation 4 TRP A 242
ILE A 229
LEU A 246
ALA A 265
 None
 1.26A 1xvaA-6czaA:
undetectable
1xvaB-6czaA:
undetectable		 1xvaA-6czaA:
undetectable
1xvaB-6czaA:
undetectable