SIMILAR PATTERNS OF AMINO ACIDS FOR 1XVA_B_ACTB294

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 ALA A  84
GLU A  83
ILE A  79
LEU A  37
 None
 0.95A 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.
1bkh MUCONATE LACTONIZING
ENZYME

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A 287
GLU A 291
ILE A 295
LEU A 272
 None
 0.78A 1xvaA-1bkhA:
undetectable
1xvaB-1bkhA:
undetectable		 1xvaA-1bkhA:
23.98
1xvaB-1bkhA:
23.98
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.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)

(Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		4 TRP A 204
TYR A 208
ILE A 217
LEU A 341
 None
 0.95A 1xvaA-1fcdA:
3.4
1xvaB-1fcdA:
3.5		 1xvaA-1fcdA:
22.76
1xvaB-1fcdA:
22.76
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.
1g73 SECOND
MITOCHONDRIA-DERIVED
ACTIVATOR OF
CASPASES

(Homo sapiens) 		PF09057
(Smac_DIABLO) 		4 ALA A  44
GLU A  43
ILE A  42
LEU A  98
 None
 1.04A 1xvaA-1g73A:
undetectable
1xvaB-1g73A:
undetectable		 1xvaA-1g73A:
20.28
1xvaB-1g73A:
20.28
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.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		4 ALA A 474
TRP A 473
ILE A 223
LEU A 135
 None
 1.01A 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.
1htt HISTIDYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 ALA A 142
TYR A 251
ILE A 249
LEU A 240
 None
 1.03A 1xvaA-1httA:
undetectable
1xvaB-1httA:
undetectable		 1xvaA-1httA:
23.43
1xvaB-1httA:
23.43
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.
1i2o TRANSALDOLASE B

(Escherichia
coli) 		PF00923
(TAL_FSA) 		4 ALA A 143
GLU A 147
ILE A 131
LEU A 155
 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.
1i2o TRANSALDOLASE B

(Escherichia
coli) 		PF00923
(TAL_FSA) 		4 ALA A 143
GLU A 147
ILE A 151
LEU A 133
 None
 0.87A 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 ALA A 500
TRP A 499
ILE A 244
LEU A 157
 None
 0.98A 1xvaA-1k4yA:
2.3
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.
1ldj CULLIN HOMOLOG 1

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		4 ALA A 484
GLU A 485
ILE A 489
LEU A 446
 None
 0.93A 1xvaA-1ldjA:
undetectable
1xvaB-1ldjA:
undetectable		 1xvaA-1ldjA:
16.69
1xvaB-1ldjA:
16.69
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.
1p31 UDP-N-ACETYLMURAMATE
--ALANINE LIGASE

(Haemophilus
influenzae) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 ALA A 296
TYR A 262
ILE A 259
LEU A 285
 None
 0.92A 1xvaA-1p31A:
3.6
1xvaB-1p31A:
3.9		 1xvaA-1p31A:
20.92
1xvaB-1p31A:
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.
1php 3-PHOSPHOGLYCERATE
KINASE

(Geobacillus
stearothermophilus) 		PF00162
(PGK) 		4 ALA A 390
GLU A 157
TYR A 162
ILE A 159
 None
 0.99A 1xvaA-1phpA:
undetectable
1xvaB-1phpA:
undetectable		 1xvaA-1phpA:
22.41
1xvaB-1phpA:
22.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		4 TRP A  30
TYR A  33
ILE A  34
LEU A 240
 None
 0.71A 1xvaA-1r8yA:
42.4
1xvaB-1r8yA:
42.1		 1xvaA-1r8yA:
95.55
1xvaB-1r8yA:
95.55
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.
1tl7 ADENYLATE CYCLASE,
TYPE V

(Canis lupus) 		PF00211
(Guanylate_cyc) 		4 ALA A 469
GLU A 468
ILE A 467
LEU A 426
 None
 1.02A 1xvaA-1tl7A:
undetectable
1xvaB-1tl7A:
undetectable		 1xvaA-1tl7A:
22.56
1xvaB-1tl7A:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v4a GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF03710
(GlnE)
PF08335
(GlnD_UR_UTase) 		4 ALA A 129
TYR A 220
ILE A 127
LEU A  90
 None
 1.04A 1xvaA-1v4aA:
undetectable
1xvaB-1v4aA:
undetectable		 1xvaA-1v4aA:
20.31
1xvaB-1v4aA:
20.31
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.
1wd3 ALPHA-L-ARABINOFURAN
OSIDASE B

(Aspergillus
kawachii) 		PF05270
(AbfB)
PF09206
(ArabFuran-catal) 		4 ALA A 247
TYR A 270
ILE A 257
LEU A 267
 None
 0.86A 1xvaA-1wd3A:
undetectable
1xvaB-1wd3A:
undetectable		 1xvaA-1wd3A:
20.92
1xvaB-1wd3A:
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.
2bf4 NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 ALA A 164
TYR A 147
ILE A 113
LEU A 182
 None
 0.95A 1xvaA-2bf4A:
3.3
1xvaB-2bf4A:
3.5		 1xvaA-2bf4A:
17.93
1xvaB-2bf4A:
17.93
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.
2d1c ISOCITRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		4 ALA A 404
TYR A 444
ILE A 423
LEU A 400
 None
 0.96A 1xvaA-2d1cA:
undetectable
1xvaB-2d1cA:
undetectable		 1xvaA-2d1cA:
21.47
1xvaB-2d1cA:
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.
2e9f ARGININOSUCCINATE
LYASE

(Thermus
thermophilus) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		4 ALA A 183
GLU A 187
ILE A 126
LEU A 133
 None
 1.03A 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.
2f9i ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Staphylococcus
aureus) 		PF01039
(Carboxyl_trans) 		4 ALA B  69
GLU B  68
ILE B  67
LEU B  61
 None
 0.94A 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.
2gyq YCFI, PUTATIVE
STRUCTURAL PROTEIN

(Rhodopseudomonas
palustris) 		PF05974
(DUF892) 		4 ALA A 110
GLU A 114
ILE A  29
LEU A  49
 None
ZN  A 409 ( 2.3A)
None
None
 0.83A 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 ALA A 160
TRP A 168
ILE A 166
LEU A 171
 None
 1.04A 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.
2mez MULTIPROTEIN
BRIDGING FACTOR
(MBP-LIKE)

(Sulfolobus
solfataricus) 		PF01381
(HTH_3) 		4 ALA A  67
GLU A  71
TYR A  24
ILE A  27
 None
 0.91A 1xvaA-2mezA:
undetectable
1xvaB-2mezA:
undetectable		 1xvaA-2mezA:
13.54
1xvaB-2mezA:
13.54
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.
2o69 IRON-UTILIZATION
PERIPLASMIC PROTEIN

(Haemophilus
influenzae) 		PF01547
(SBP_bac_1) 		4 ALA A  17
GLU A  21
ILE A   2
LEU A  30
 None
 0.81A 1xvaA-2o69A:
undetectable
1xvaB-2o69A:
undetectable		 1xvaA-2o69A:
24.18
1xvaB-2o69A:
24.18
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.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		4 ALA A 228
GLU A 229
ILE A 313
LEU A 375
 None
 0.84A 1xvaA-2qveA:
undetectable
1xvaB-2qveA:
undetectable		 1xvaA-2qveA:
20.11
1xvaB-2qveA:
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.
2rcc RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Bacillus
halodurans) 		PF00268
(Ribonuc_red_sm) 		4 TRP A 263
TYR A 266
ILE A 267
LEU A 151
 None
PG4  A 346 ( 3.8A)
PG4  A 346 ( 4.8A)
None
 0.81A 1xvaA-2rccA:
undetectable
1xvaB-2rccA:
undetectable		 1xvaA-2rccA:
21.07
1xvaB-2rccA:
21.07
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 ALA A 514
GLU A 517
ILE A 193
LEU A 161
 None
 1.04A 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 ALA A 211
TRP A 239
ILE A 235
LEU A 208
 None
 1.04A 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 ALA A 313
TRP A 234
ILE A 453
LEU A 208
 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 ALA A 313
TRP A 234
ILE A 453
LEU A 208
 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 ALA C  30
GLU C  31
ILE C  39
LEU C  50
 None
 1.01A 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.
2y3a PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT BETA

(Mus musculus) 		PF00017
(SH2)
PF16454
(PI3K_P85_iSH2) 		4 ALA B 544
TYR B 461
ILE B 550
LEU B 468
 None
 0.97A 1xvaA-2y3aB:
undetectable
1xvaB-2y3aB:
undetectable		 1xvaA-2y3aB:
24.70
1xvaB-2y3aB:
24.70
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.
3bdd REGULATORY PROTEIN
MARR

(Streptococcus
suis) 		PF01047
(MarR) 		4 ALA A  94
TYR A  33
ILE A  28
LEU A  40
 None
None
PO4  A 142 (-4.0A)
None
 1.05A 1xvaA-3bddA:
undetectable
1xvaB-3bddA:
undetectable		 1xvaA-3bddA:
19.45
1xvaB-3bddA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		4 ALA A 103
TYR A  87
ILE A  86
LEU A 114
 None
 1.01A 1xvaA-3fgbA:
undetectable
1xvaB-3fgbA:
undetectable		 1xvaA-3fgbA:
22.34
1xvaB-3fgbA:
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.
3fjo NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 ALA A 164
TYR A 147
ILE A 113
LEU A 182
 None
 0.90A 1xvaA-3fjoA:
3.4
1xvaB-3fjoA:
3.2		 1xvaA-3fjoA:
19.46
1xvaB-3fjoA:
19.46
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.
3g7n LIPASE

(Penicillium
expansum) 		PF01764
(Lipase_3) 		4 ALA A 116
GLU A 113
TYR A 121
ILE A  58
 None
PEG  A 266 (-3.1A)
None
None
 0.97A 1xvaA-3g7nA:
undetectable
1xvaB-3g7nA:
undetectable		 1xvaA-3g7nA:
23.34
1xvaB-3g7nA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hjz TRANSALDOLASE B

(Prochlorococcus
marinus) 		PF00923
(TAL_FSA) 		4 ALA A 146
GLU A 150
ILE A 134
LEU A 158
 None
 0.90A 1xvaA-3hjzA:
undetectable
1xvaB-3hjzA:
undetectable		 1xvaA-3hjzA:
20.34
1xvaB-3hjzA:
20.34
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.
3ihp UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 5

(Homo sapiens) 		PF00443
(UCH)
PF00627
(UBA)
PF02148
(zf-UBP) 		4 ALA A 816
TYR A 809
ILE A 808
LEU A 320
 None
 0.92A 1xvaA-3ihpA:
undetectable
1xvaB-3ihpA:
undetectable		 1xvaA-3ihpA:
16.02
1xvaB-3ihpA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j9j TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 1

(Rattus
norvegicus) 		PF00520
(Ion_trans) 		4 ALA A  72
TYR A  64
ILE A  67
LEU A 165
 None
 1.04A 1xvaA-3j9jA:
undetectable
1xvaB-3j9jA:
undetectable		 1xvaA-3j9jA:
21.10
1xvaB-3j9jA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		4 ALA A1501
TRP A1500
ILE A1244
LEU A1157
 None
 1.04A 1xvaA-3k9bA:
2.4
1xvaB-3k9bA:
2.5		 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.
3m16 TRANSALDOLASE

(Oleispira
antarctica) 		PF00923
(TAL_FSA) 		4 ALA A 150
GLU A 154
ILE A 138
LEU A 162
 None
 0.97A 1xvaA-3m16A:
undetectable
1xvaB-3m16A:
undetectable		 1xvaA-3m16A:
22.12
1xvaB-3m16A:
22.12
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.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ALA A 128
GLU A 446
TYR A  26
ILE A  27
 None
 0.98A 1xvaA-3pfeA:
undetectable
1xvaB-3pfeA:
undetectable		 1xvaA-3pfeA:
20.13
1xvaB-3pfeA:
20.13
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.
3ppo GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		4 ALA A  52
GLU A  56
ILE A  34
LEU A  65
 None
 0.75A 1xvaA-3ppoA:
undetectable
1xvaB-3ppoA:
undetectable		 1xvaA-3ppoA:
22.03
1xvaB-3ppoA:
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.
3pr2 TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Salmonella
enterica) 		PF00290
(Trp_syntA) 		4 ALA A 129
TYR A 175
ILE A 153
LEU A 100
 F9F  A   1 (-3.5A)
F9F  A   1 (-4.0A)
F9F  A   1 (-4.3A)
F9F  A   1 (-3.6A)
 0.91A 1xvaA-3pr2A:
undetectable
1xvaB-3pr2A:
undetectable		 1xvaA-3pr2A:
22.33
1xvaB-3pr2A:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13416
(SBP_bac_8) 		4 ALA A  53
GLU A  57
ILE A  35
LEU A  66
 ALA  A  53 ( 0.0A)
GLU  A  57 ( 0.6A)
ILE  A  35 ( 0.7A)
LEU  A  66 ( 0.6A)
 0.70A 1xvaA-3pu5A:
undetectable
1xvaB-3pu5A:
undetectable		 1xvaA-3pu5A:
22.00
1xvaB-3pu5A:
22.00
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.
3qgm P-NITROPHENYL
PHOSPHATASE (PHO2)

(Archaeoglobus
fulgidus) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 ALA A  78
TYR A 117
ILE A 145
LEU A 107
 None
 1.00A 1xvaA-3qgmA:
3.4
1xvaB-3qgmA:
3.1		 1xvaA-3qgmA:
21.47
1xvaB-3qgmA:
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.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		4 ALA A   5
TYR A  23
ILE A  39
LEU A  51
 None
 0.86A 1xvaA-3tmaA:
14.8
1xvaB-3tmaA:
14.4		 1xvaA-3tmaA:
23.12
1xvaB-3tmaA:
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.
3v48 PUTATIVE
AMINOACRYLATE
HYDROLASE RUTD

(Escherichia
coli) 		PF00561
(Abhydrolase_1) 		4 ALA A  73
TYR A  82
ILE A  79
LEU A  70
 None
 1.02A 1xvaA-3v48A:
undetectable
1xvaB-3v48A:
undetectable		 1xvaA-3v48A:
22.29
1xvaB-3v48A:
22.29
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.
3vup BETA-1,4-MANNANASE

(Aplysia kurodai) 		PF00150
(Cellulase) 		4 ALA A 208
TYR A 136
ILE A 137
LEU A 159
 None
 0.87A 1xvaA-3vupA:
undetectable
1xvaB-3vupA:
undetectable		 1xvaA-3vupA:
21.58
1xvaB-3vupA:
21.58
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.
3w4q BETA-LACTAMASE

(Burkholderia
multivorans) 		PF13354
(Beta-lactamase2) 		4 ALA A 281
TYR A 265
ILE A 279
LEU A  37
 None
 0.90A 1xvaA-3w4qA:
undetectable
1xvaB-3w4qA:
undetectable		 1xvaA-3w4qA:
23.13
1xvaB-3w4qA:
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.
3wkh CELLOBIOSE
2-EPIMERASE

(Rhodothermus
marinus) 		PF07221
(GlcNAc_2-epim) 		4 ALA A 263
GLU A 262
ILE A 261
LEU A 240
 None
BMA  A 502 (-3.5A)
None
None
 0.82A 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.
3zs7 PYRIDOXAL KINASE

(Trypanosoma
brucei) 		PF08543
(Phos_pyr_kin) 		4 ALA A 233
TYR A  79
ILE A 115
LEU A  27
 None
 1.03A 1xvaA-3zs7A:
3.9
1xvaB-3zs7A:
3.8		 1xvaA-3zs7A:
22.52
1xvaB-3zs7A:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4buj ANTIVIRAL HELICASE
SKI2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT) 		4 GLU A 824
TYR A1092
ILE A 826
LEU A 814
 None
 0.91A 1xvaA-4bujA:
4.2
1xvaB-4bujA:
2.6		 1xvaA-4bujA:
13.01
1xvaB-4bujA:
13.01
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.
4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF14574
(DUF4445) 		4 ALA I 534
GLU I 533
ILE I 562
LEU I 525
 None
 0.99A 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.
4c3o HYDROGENASE-1 LARGE
SUBUNIT

(Salmonella
enterica) 		PF00374
(NiFeSe_Hases) 		4 ALA A 447
GLU A 446
TYR A 423
LEU A 438
 None
 0.80A 1xvaA-4c3oA:
undetectable
1xvaB-4c3oA:
undetectable		 1xvaA-4c3oA:
18.66
1xvaB-4c3oA:
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.
4f52 CULLIN-1

(Homo sapiens) 		PF00888
(Cullin) 		4 ALA A 484
GLU A 485
ILE A 489
LEU A 446
 None
 0.86A 1xvaA-4f52A:
undetectable
1xvaB-4f52A:
undetectable		 1xvaA-4f52A:
22.12
1xvaB-4f52A:
22.12
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.
4ggg REPRESSOR PROTEIN

(Staphylococcus
aureus) 		PF01022
(HTH_5) 		4 GLU A  33
TYR A  26
ILE A  29
LEU A  49
 None
 0.88A 1xvaA-4gggA:
undetectable
1xvaB-4gggA:
undetectable		 1xvaA-4gggA:
19.00
1xvaB-4gggA:
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.
4hb4 EXPORTIN-1

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		4 ALA C 343
TYR C 420
ILE C 423
LEU C 323
 None
 0.83A 1xvaA-4hb4C:
undetectable
1xvaB-4hb4C:
undetectable		 1xvaA-4hb4C:
14.88
1xvaB-4hb4C:
14.88
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.
4hb5 ENGINEERED PROTEIN

(synthetic
construct) 		PF12796
(Ank_2) 		4 ALA A  11
GLU A  10
ILE A   9
LEU A  23
 None
 0.95A 1xvaA-4hb5A:
undetectable
1xvaB-4hb5A:
undetectable		 1xvaA-4hb5A:
22.11
1xvaB-4hb5A:
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.
4hn9 IRON COMPLEX
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

([Eubacterium]
eligens) 		PF01497
(Peripla_BP_2) 		4 ALA A 150
GLU A 154
ILE A 158
LEU A 142
 None
 0.97A 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.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 ALA A 297
TYR A 263
ILE A 260
LEU A 286
 None
 0.95A 1xvaA-4hv4A:
2.2
1xvaB-4hv4A:
undetectable		 1xvaA-4hv4A:
18.98
1xvaB-4hv4A:
18.98
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.
4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN

(Lactobacillus
acidophilus) 		PF06100
(MCRA) 		4 ALA A 234
TYR A 107
ILE A  97
LEU A 100
 None
 0.99A 1xvaA-4ia5A:
2.3
1xvaB-4ia5A:
2.1		 1xvaA-4ia5A:
20.21
1xvaB-4ia5A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4li3 CYSTEINE SYNTHASE

(Haemophilus
influenzae) 		PF00291
(PALP) 		4 ALA X 201
GLU X 203
ILE X 229
LEU X 238
 None
None
LLP  X  42 ( 4.7A)
None
 1.02A 1xvaA-4li3X:
2.1
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.
4lut ALANINE RACEMASE

(Clostridioides
difficile) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ALA A 344
GLU A 345
TYR A 356
ILE A 354
LEU A 359
 None
None
DCS  A 401 (-4.0A)
None
None
 1.29A 1xvaA-4lutA:
undetectable
1xvaB-4lutA:
undetectable		 1xvaA-4lutA:
20.49
1xvaB-4lutA:
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.
4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C

(Homo sapiens) 		PF10294
(Methyltransf_16) 		4 ALA A 139
GLU A 118
ILE A 116
LEU A 153
 None
UNX  A1016 ( 2.6A)
None
None
 1.02A 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.
4o3s DNA POLYMERASE ETA

(Homo sapiens) 		PF00817
(IMS)
PF11799
(IMS_C) 		4 ALA A 112
GLU A 110
ILE A 109
LEU A  11
 None
 0.97A 1xvaA-4o3sA:
undetectable
1xvaB-4o3sA:
undetectable		 1xvaA-4o3sA:
20.18
1xvaB-4o3sA:
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		4 ALA A 338
TYR A 206
ILE A 292
LEU A 153
 None
 1.05A 1xvaA-4oc9A:
2.9
1xvaB-4oc9A:
undetectable		 1xvaA-4oc9A:
21.35
1xvaB-4oc9A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ohx PROTEIN CLPF-1

(Caenorhabditis
elegans) 		PF06807
(Clp1)
PF16573
(CLP1_N)
PF16575
(CLP1_P) 		4 ALA A  36
TYR A  49
ILE A  38
LEU A  31
 None
 0.98A 1xvaA-4ohxA:
2.3
1xvaB-4ohxA:
2.1		 1xvaA-4ohxA:
20.51
1xvaB-4ohxA:
20.51
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.
4opm LIPASE

(Acinetobacter
baumannii) 		PF12697
(Abhydrolase_6) 		4 ALA A  88
TYR A 312
ILE A 309
LEU A  73
 None
 1.03A 1xvaA-4opmA:
undetectable
1xvaB-4opmA:
2.6		 1xvaA-4opmA:
24.05
1xvaB-4opmA:
24.05
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.
4plb CHIMERA PROTEIN OF
DNA GYRASE SUBUNITS
B AND A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 ALA B 614
GLU B 613
ILE B 612
LEU B 608
 None
 0.98A 1xvaA-4plbB:
undetectable
1xvaB-4plbB:
undetectable		 1xvaA-4plbB:
17.75
1xvaB-4plbB:
17.75
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.
4q66 PROTEIN BCH1

(Saccharomyces
cerevisiae) 		no annotation 4 ALA K 302
TYR K 310
ILE K 307
LEU K 292
 None
 1.01A 1xvaA-4q66K:
undetectable
1xvaB-4q66K:
undetectable		 1xvaA-4q66K:
16.84
1xvaB-4q66K:
16.84
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.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		4 ALA A 187
GLU A 186
ILE A  95
LEU A 361
 None
 0.83A 1xvaA-4qbuA:
undetectable
1xvaB-4qbuA:
undetectable		 1xvaA-4qbuA:
21.97
1xvaB-4qbuA:
21.97
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.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		4 ALA A 134
GLU A 133
ILE A 239
LEU A 258
 None
 1.02A 1xvaA-4r04A:
2.5
1xvaB-4r04A:
2.6		 1xvaA-4r04A:
9.77
1xvaB-4r04A:
9.77
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.
4xrw BEXL

(Amycolatopsis
orientalis) 		PF10604
(Polyketide_cyc2) 		4 ALA A 175
TYR A 228
ILE A 226
LEU A 200
 None
 1.05A 1xvaA-4xrwA:
undetectable
1xvaB-4xrwA:
undetectable		 1xvaA-4xrwA:
23.74
1xvaB-4xrwA:
23.74
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.
4xze NUCLEOPROTEIN

(Hazara
orthonairovirus) 		PF02477
(Nairo_nucleo) 		4 ALA A 208
TYR A 287
ILE A 257
LEU A 238
 None
 0.90A 1xvaA-4xzeA:
undetectable
1xvaB-4xzeA:
undetectable		 1xvaA-4xzeA:
20.53
1xvaB-4xzeA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zqg 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Moraxella
catarrhalis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 ALA A 238
GLU A 237
ILE A 236
LEU A 186
 None
None
NHE  A 505 ( 4.5A)
None
 0.98A 1xvaA-4zqgA:
3.2
1xvaB-4zqgA:
3.5		 1xvaA-4zqgA:
22.72
1xvaB-4zqgA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5an8 TRPV2

(Oryctolagus
cuniculus) 		PF00520
(Ion_trans)
PF12796
(Ank_2) 		4 ALA A 409
TYR A 401
ILE A 404
LEU A 503
 None
 0.99A 1xvaA-5an8A:
undetectable
1xvaB-5an8A:
undetectable		 1xvaA-5an8A:
18.42
1xvaB-5an8A:
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.
5bp1 MYCOCEROSIC ACID
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ALA A 747
GLU A 746
ILE A 745
LEU A 657
 None
 0.92A 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 ALA A 338
GLU A 337
ILE A 238
LEU A 341
 None
4UW  A 600 ( 4.6A)
None
None
 1.04A 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 ALA B 614
GLU B 613
ILE B 612
LEU B 608
 None
 0.90A 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.
5gjk SWI/SNF COMPLEX
SUBUNIT SMARCC1

(Homo sapiens) 		PF04433
(SWIRM) 		4 ALA A 454
TRP A 531
ILE A 465
LEU A 533
 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.
5gjv VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		PF00520
(Ion_trans)
PF08763
(Ca_chan_IQ)
PF16905
(GPHH) 		4 ALA A 101
GLU A 100
ILE A  99
LEU A 125
 None
 0.93A 1xvaA-5gjvA:
undetectable
1xvaB-5gjvA:
undetectable		 1xvaA-5gjvA:
10.28
1xvaB-5gjvA:
10.28
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.
5hh9 PVDN

(Pseudomonas
aeruginosa) 		PF00266
(Aminotran_5) 		4 ALA A 180
GLU A 215
ILE A 216
LEU A 363
 None
 1.01A 1xvaA-5hh9A:
2.9
1xvaB-5hh9A:
2.7		 1xvaA-5hh9A:
19.35
1xvaB-5hh9A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER

(Homo sapiens) 		PF00209
(SNF) 		4 ALA A 509
GLU A 508
ILE A 507
LEU A 549
 None
 0.97A 1xvaA-5i6zA:
undetectable
1xvaB-5i6zA:
undetectable		 1xvaA-5i6zA:
18.21
1xvaB-5i6zA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k3j ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 ALA A 415
TYR A 314
ILE A 310
LEU A 630
 None
 1.05A 1xvaA-5k3jA:
undetectable
1xvaB-5k3jA:
undetectable		 1xvaA-5k3jA:
18.17
1xvaB-5k3jA:
18.17
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.
5kba DESIGNED PROTEIN
ANK1C2

(synthetic
construct) 		PF12796
(Ank_2) 		4 ALA A  10
GLU A   9
ILE A   8
LEU A  22
 None
 0.99A 1xvaA-5kbaA:
undetectable
1xvaB-5kbaA:
undetectable		 1xvaA-5kbaA:
19.45
1xvaB-5kbaA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l2v CHITIN-BINDING
PROTEIN

(Listeria
monocytogenes) 		PF03067
(LPMO_10) 		4 ALA A 127
TYR A   3
ILE A   4
LEU A  81
 None
P33  A 202 (-4.8A)
None
None
 0.96A 1xvaA-5l2vA:
undetectable
1xvaB-5l2vA:
undetectable		 1xvaA-5l2vA:
20.13
1xvaB-5l2vA:
20.13
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.
5mc7 COATOMER SUBUNIT
ZETA-1

(Homo sapiens) 		PF01217
(Clat_adaptor_s) 		4 ALA A  60
GLU A  58
TYR A  78
LEU A  62
 None
 0.99A 1xvaA-5mc7A:
undetectable
1xvaB-5mc7A:
undetectable		 1xvaA-5mc7A:
20.48
1xvaB-5mc7A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n5e PFC_05175

(Pyrococcus
furiosus) 		no annotation 4 ALA e  31
GLU e  32
TYR e  39
ILE e  36
 None
FE  e 101 (-1.8A)
None
None
 0.89A 1xvaA-5n5ee:
undetectable
1xvaB-5n5ee:
undetectable		 1xvaA-5n5ee:
undetectable
1xvaB-5n5ee:
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.
5njo PUTATIVE CUPIN_2
DOMAIN-CONTAINING
ISOMERASE

(Streptomyces
coeruleorubidus) 		no annotation 4 GLU A 108
TYR A  89
ILE A  87
LEU A  97
 None
 0.99A 1xvaA-5njoA:
undetectable
1xvaB-5njoA:
undetectable		 1xvaA-5njoA:
undetectable
1xvaB-5njoA:
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.
5tf2 PROLACTIN REGULATORY
ELEMENT-BINDING
PROTEIN

(Homo sapiens) 		PF00400
(WD40) 		4 ALA A 368
TYR A 336
ILE A 326
LEU A 382
 None
 1.04A 1xvaA-5tf2A:
undetectable
1xvaB-5tf2A:
undetectable		 1xvaA-5tf2A:
20.24
1xvaB-5tf2A:
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.
5us8 ARGININOSUCCINATE
SYNTHASE

(Bordetella
pertussis) 		PF00764
(Arginosuc_synth) 		4 ALA A 200
GLU A 293
TYR A 191
ILE A 291
 None
 1.03A 1xvaA-5us8A:
2.6
1xvaB-5us8A:
2.9		 1xvaA-5us8A:
20.73
1xvaB-5us8A:
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.
5vf4 UNCHARACTERIZED
PROTEIN

(Thermus
aquaticus) 		PF03781
(FGE-sulfatase) 		4 ALA A 375
GLU A 200
ILE A 344
LEU A 111
 None
CA  A 402 (-3.8A)
None
None
 0.89A 1xvaA-5vf4A:
undetectable
1xvaB-5vf4A:
undetectable		 1xvaA-5vf4A:
23.70
1xvaB-5vf4A:
23.70
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.
5vld HISTIDINOL
DEHYDROGENASE,
CHLOROPLASTIC

(Medicago
truncatula) 		PF00815
(Histidinol_dh) 		4 ALA A 232
TYR A 166
ILE A 230
LEU A 222
 None
NAD  A 502 (-4.3A)
None
None
 0.90A 1xvaA-5vldA:
4.1
1xvaB-5vldA:
4.0		 1xvaA-5vldA:
24.75
1xvaB-5vldA:
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF00374
(NiFeSe_Hases) 		4 ALA D 176
GLU D 175
ILE D 174
LEU D 204
 None
 0.95A 1xvaA-5xfaD:
undetectable
1xvaB-5xfaD:
undetectable		 1xvaA-5xfaD:
20.08
1xvaB-5xfaD:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xx9 BACTERIOFERRITIN

(Streptomyces
coelicolor) 		no annotation 4 ALA A  17
GLU A  18
TYR A  25
ILE A  22
 None
FE2  A 201 (-2.0A)
None
FE2  A 203 ( 4.8A)
 0.94A 1xvaA-5xx9A:
undetectable
1xvaB-5xx9A:
undetectable		 1xvaA-5xx9A:
undetectable
1xvaB-5xx9A:
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.
5zbh NEUROPEPTIDE Y
RECEPTOR TYPE 1,T4
LYSOZYME,NEUROPEPTID
E Y RECEPTOR TYPE 1

(Homo sapiens;
Escherichia
virus T4) 		no annotation 4 ALA A1062
TYR A1017
ILE A1026
LEU A1012
 None
 1.03A 1xvaA-5zbhA:
undetectable
1xvaB-5zbhA:
undetectable		 1xvaA-5zbhA:
undetectable
1xvaB-5zbhA:
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.
5zya SPLICING FACTOR 3B
SUBUNIT 1

(Homo sapiens) 		no annotation 4 ALA C 749
TYR C 765
ILE C 754
LEU C 731
 None
 1.04A 1xvaA-5zyaC:
undetectable
1xvaB-5zyaC:
undetectable		 1xvaA-5zyaC:
undetectable
1xvaB-5zyaC:
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.
6c49 ALCOHOL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 4 ALA A 321
GLU A 320
TYR A   9
LEU A 336
 None
 0.77A 1xvaA-6c49A:
7.5
1xvaB-6c49A:
7.9		 1xvaA-6c49A:
undetectable
1xvaB-6c49A:
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 4 ALA A  63
TYR A 443
ILE A  42
LEU A 439
 None
 1.04A 1xvaA-6frvA:
undetectable
1xvaB-6frvA:
undetectable		 1xvaA-6frvA:
undetectable
1xvaB-6frvA:
undetectable