SIMILAR PATTERNS OF AMINO ACIDS FOR 3GWX_A_EPAA1

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.
1e51 DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Homo sapiens) 		PF00490
(ALAD) 		5 VAL A  37
PHE A  36
ILE A  32
LEU A 108
LEU A  61
 None
 1.05A 3gwxA-1e51A:
0.0		 3gwxA-1e51A:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ef1 MOESIN

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 VAL A   7
LEU A  59
VAL A  70
VAL A  65
LEU A  29
 None
 1.00A 3gwxA-1ef1A:
undetectable		 3gwxA-1ef1A:
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.
1eh5 PALMITOYL PROTEIN
THIOESTERASE 1

(Bos taurus) 		PF02089
(Palm_thioest) 		5 PHE A 114
LEU A  99
VAL A 124
VAL A  95
LEU A  70
 None
 1.03A 3gwxA-1eh5A:
undetectable		 3gwxA-1eh5A:
20.45
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.
1fuj PR3

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL A  88
LEU A  33
VAL A  66
VAL A  64
LEU A  59
 None
 0.96A 3gwxA-1fujA:
undetectable		 3gwxA-1fujA:
19.54
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.
1g3n V-CYCLIN

(Human
gammaherpesvirus
8) 		PF00134
(Cyclin_N)
PF09080
(K-cyclin_vir_C) 		5 VAL C 206
ILE C 197
LEU C 224
VAL C 220
LEU C 162
 None
 1.05A 3gwxA-1g3nC:
0.0		 3gwxA-1g3nC:
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.
1n61 CARBON MONOXIDE
DEHYDROGENASE MEDIUM
CHAIN

(Oligotropha
carboxidovorans) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 ILE C 253
LEU C 275
VAL C 200
VAL C 279
LEU C 243
 None
 0.99A 3gwxA-1n61C:
0.0		 3gwxA-1n61C:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p1a UV EXCISION REPAIR
PROTEIN RAD23
HOMOLOG B

(Homo sapiens) 		PF00240
(ubiquitin) 		5 VAL A  26
LEU A   8
VAL A   6
VAL A  73
LEU A  49
 None
 0.97A 3gwxA-1p1aA:
undetectable		 3gwxA-1p1aA:
16.34
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.
1pix GLUTACONYL-COA
DECARBOXYLASE A
SUBUNIT

(Acidaminococcus
fermentans) 		PF01039
(Carboxyl_trans) 		5 VAL A 108
ILE A 205
VAL A 282
VAL A 101
LEU A  69
 None
 0.92A 3gwxA-1pixA:
0.0		 3gwxA-1pixA:
18.90
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.
1r3d CONSERVED
HYPOTHETICAL PROTEIN
VC1974

(Vibrio cholerae) 		PF12697
(Abhydrolase_6) 		5 VAL A  75
GLN A  73
LEU A 111
VAL A  85
LEU A  87
 None
 1.03A 3gwxA-1r3dA:
0.0		 3gwxA-1r3dA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rhf TYROSINE-PROTEIN
KINASE RECEPTOR
TYRO3

(Homo sapiens) 		PF07679
(I-set) 		5 VAL A 152
LEU A 108
VAL A 110
VAL A 179
LEU A 118
 None
 0.98A 3gwxA-1rhfA:
undetectable		 3gwxA-1rhfA:
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.
1riw THROMBIN HEAVY
CHAIN, B

(Homo sapiens) 		PF00089
(Trypsin) 		5 ILE B 136
LEU B  54
VAL B  52
VAL B  97
LEU B 117
 None
 0.95A 3gwxA-1riwB:
undetectable		 3gwxA-1riwB:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uel UV EXCISION REPAIR
PROTEIN RAD23
HOMOLOG B

(Homo sapiens) 		PF00240
(ubiquitin) 		5 VAL A  23
LEU A   5
VAL A   3
VAL A  70
LEU A  46
 None
 0.95A 3gwxA-1uelA:
undetectable		 3gwxA-1uelA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v71 HYPOTHETICAL PROTEIN
C320.14 IN
CHROMOSOME III

(Schizosaccharomyces
pombe) 		PF00291
(PALP) 		5 PHE A  39
LEU A 168
VAL A  29
VAL A 172
LEU A 175
 None
 0.97A 3gwxA-1v71A:
undetectable		 3gwxA-1v71A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x6m GLUTATHIONE-DEPENDEN
T
FORMALDEHYDE-ACTIVAT
ING ENZYME

(Paracoccus
denitrificans) 		PF04828
(GFA) 		5 ILE A  96
LEU A  78
VAL A  73
VAL A  44
LEU A  31
 SO4  A 501 (-4.2A)
None
None
None
None
 1.06A 3gwxA-1x6mA:
undetectable		 3gwxA-1x6mA:
24.35
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.
1xwc THIOREDOXIN

(Drosophila
melanogaster) 		PF00085
(Thioredoxin) 		6 VAL A  23
PHE A  80
ILE A  72
LEU A  11
VAL A   5
LEU A  15
 None
 1.48A 3gwxA-1xwcA:
undetectable		 3gwxA-1xwcA:
25.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ycp EPSILON THROMBIN

(Bos taurus) 		PF00089
(Trypsin) 		5 ILE K 103
LEU K  33
VAL K  31
VAL K  66
LEU K  85
 None
 1.03A 3gwxA-1ycpK:
undetectable		 3gwxA-1ycpK:
25.33
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.
1yew PARTICULATE METHANE
MONOOXYGENASE, A
SUBUNIT
PARTICULATE METHANE
MONOOXYGENASE, B
SUBUNIT

(Methylococcus
capsulatus) 		PF02461
(AMO)
PF04744
(Monooxygenase_B) 		5 VAL B 169
GLN A 265
LEU A 180
VAL A 170
VAL A 178
 None
 1.07A 3gwxA-1yewB:
undetectable		 3gwxA-1yewB:
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.
1z5a TYPE II DNA
TOPOISOMERASE VI
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF05833
(FbpA)
PF09239
(Topo-VIb_trans) 		5 VAL A 172
ILE A  69
VAL A 116
VAL A 112
LEU A  39
 None
None
None
ADP  A2001 (-4.0A)
None
 1.05A 3gwxA-1z5aA:
undetectable		 3gwxA-1z5aA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ag1 BENZALDEHYDE LYASE

(Pseudomonas
fluorescens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 VAL A 142
LEU A  22
VAL A  19
VAL A  69
LEU A  98
 None
 1.02A 3gwxA-2ag1A:
undetectable		 3gwxA-2ag1A:
18.07
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.
2aoq DNA MISMATCH REPAIR
PROTEIN MUTH

(Haemophilus
influenzae) 		PF02976
(MutH) 		5 GLN A 156
LEU A 117
VAL A 113
VAL A  95
LEU A 213
 None
 1.00A 3gwxA-2aoqA:
undetectable		 3gwxA-2aoqA:
21.94
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.
2atp T-CELL SURFACE
GLYCOPROTEIN CD8
ALPHA CHAIN

(Mus musculus) 		PF07686
(V-set) 		5 VAL A 116
PHE A 101
GLN A  41
LEU A  89
LEU A  24
 None
 1.05A 3gwxA-2atpA:
undetectable		 3gwxA-2atpA:
17.84
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.
2c40 INOSINE-URIDINE
PREFERRING
NUCLEOSIDE HYDROLASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF01156
(IU_nuc_hydro) 		5 LEU A  20
VAL A 248
VAL A  16
LEU A 224
LYS A 308
 None
 1.07A 3gwxA-2c40A:
undetectable		 3gwxA-2c40A:
19.94
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.
2cu1 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 2

(Homo sapiens) 		PF00564
(PB1) 		5 VAL A  11
LEU A  64
VAL A  68
VAL A  28
LEU A  33
 None
 1.07A 3gwxA-2cu1A:
undetectable		 3gwxA-2cu1A:
21.03
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.
2gnp TRANSCRIPTIONAL
REGULATOR

(Streptococcus
pneumoniae) 		PF04198
(Sugar-bind) 		5 VAL A 311
ILE A  95
LEU A  77
VAL A  68
LEU A 293
 None
 0.99A 3gwxA-2gnpA:
undetectable		 3gwxA-2gnpA:
21.18
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.
2grj DEPHOSPHO-COA KINASE

(Thermotoga
maritima) 		PF01121
(CoaE) 		5 VAL A   5
ILE A 131
LEU A 164
VAL A 155
VAL A 168
 None
 1.06A 3gwxA-2grjA:
undetectable		 3gwxA-2grjA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hjs USG-1 PROTEIN
HOMOLOG

(Pseudomonas
aeruginosa) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ILE A 228
LEU A 309
VAL A 307
VAL A 297
LEU A 265
 None
 1.02A 3gwxA-2hjsA:
undetectable		 3gwxA-2hjsA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2htm PUTATIVE THIAMINE
BIOSYNTHESIS PROTEIN
THIS

(Thermus
thermophilus) 		PF02597
(ThiS) 		5 VAL E  19
LEU E  34
VAL E  32
VAL E  55
LEU E  49
 None
 0.97A 3gwxA-2htmE:
undetectable		 3gwxA-2htmE:
14.76
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.
2mqe OMPA DOMAIN PROTEIN
TRANSMEMBRANE
REGION-CONTAINING
PROTEIN

(Escherichia
coli) 		PF00691
(OmpA) 		5 ILE A 316
LEU A 264
VAL A 236
VAL A 260
LEU A 217
 None
 0.90A 3gwxA-2mqeA:
undetectable		 3gwxA-2mqeA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2n2h PAIRED AMPHIPATHIC
HELIX PROTEIN SIN3A

(Mus musculus) 		PF08295
(Sin3_corepress) 		5 VAL B 633
ILE B 673
LEU B 685
VAL B 693
LEU B 658
 None
 0.93A 3gwxA-2n2hB:
undetectable		 3gwxA-2n2hB:
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.
2npt MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 2

(Homo sapiens) 		PF00564
(PB1) 		5 VAL B  46
LEU B  99
VAL B 103
VAL B  63
LEU B  68
 None
 0.88A 3gwxA-2nptB:
undetectable		 3gwxA-2nptB:
18.85
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.
2nzj GTP-BINDING PROTEIN
REM 1

(Homo sapiens) 		PF00071
(Ras) 		5 VAL A 188
GLN A 242
LEU A  86
VAL A  84
LEU A 179
 None
 1.01A 3gwxA-2nzjA:
undetectable		 3gwxA-2nzjA:
20.66
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.
2ouc DUAL SPECIFICITY
PROTEIN PHOSPHATASE
10

(Homo sapiens) 		PF00581
(Rhodanese) 		5 VAL A 192
ILE A 150
LEU A 259
VAL A 255
VAL A 212
 None
 1.06A 3gwxA-2oucA:
undetectable		 3gwxA-2oucA:
20.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 PHE A 273
GLN A 277
ILE A 317
MET A 320
VAL A 332
LEU A 344
LYS A 358
 735  A 469 (-3.7A)
735  A 469 (-4.4A)
735  A 469 ( 4.8A)
None
735  A 469 (-3.8A)
735  A 469 ( 4.2A)
None
 0.49A 3gwxA-2p54A:
37.9		 3gwxA-2p54A:
70.52
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.
2pg6 CYTOCHROME P450 2A6

(Homo sapiens) 		PF00067
(p450) 		5 GLN A 150
ILE A 157
LEU A 310
VAL A 178
VAL A 306
 None
None
None
None
HEM  A 500 ( 4.3A)
 0.99A 3gwxA-2pg6A:
undetectable		 3gwxA-2pg6A:
20.45
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.
2pg6 CYTOCHROME P450 2A6

(Homo sapiens) 		PF00067
(p450) 		5 GLN A 150
LEU A 310
VAL A 178
VAL A 306
LEU A 449
 None
None
None
HEM  A 500 ( 4.3A)
None
 0.97A 3gwxA-2pg6A:
undetectable		 3gwxA-2pg6A:
20.45
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.
2r1v DJ-1

(Homo sapiens) 		PF01965
(DJ-1_PfpI) 		5 ILE A 105
LEU A 166
VAL A 169
VAL A 181
LEU A 185
 None
 1.03A 3gwxA-2r1vA:
undetectable		 3gwxA-2r1vA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v0j BIFUNCTIONAL PROTEIN
GLMU

(Haemophilus
influenzae) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 ILE A 109
LEU A  11
VAL A   9
VAL A  86
LEU A 198
 None
H2U  A1453 (-4.0A)
None
None
None
 0.89A 3gwxA-2v0jA:
undetectable		 3gwxA-2v0jA:
19.50
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.
2w4i GLUTAMATE RACEMASE

(Helicobacter
pylori) 		PF01177
(Asp_Glu_race) 		5 VAL A  90
ILE A  29
LEU A  19
VAL A  15
LEU A 218
 None
 1.02A 3gwxA-2w4iA:
undetectable		 3gwxA-2w4iA:
23.37
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.
2wfx HEDGEHOG-INTERACTING
PROTEIN

(Homo sapiens) 		PF07995
(GSDH) 		5 VAL B 562
GLN B 220
LEU B 535
VAL B 510
LEU B 505
 None
 0.98A 3gwxA-2wfxB:
undetectable		 3gwxA-2wfxB:
17.98
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.
2ww2 ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		5 VAL A 657
ILE A 675
LEU A 685
VAL A 683
VAL A 295
 None
 1.06A 3gwxA-2ww2A:
undetectable		 3gwxA-2ww2A:
15.70
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.
2yrl KIAA1837 PROTEIN

(Homo sapiens) 		PF00801
(PKD) 		5 VAL A  91
LEU A  53
VAL A  51
VAL A  63
LEU A  26
 None
 1.04A 3gwxA-2yrlA:
undetectable		 3gwxA-2yrlA:
16.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 PHE A 282
GLN A 286
ILE A 326
MET A 329
LEU A 353
LYS A 367
 MC5  A   1 (-4.4A)
None
MC5  A   1 ( 4.9A)
None
MC5  A   1 (-4.7A)
None
 0.65A 3gwxA-3b0qA:
36.2		 3gwxA-3b0qA:
61.68
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.
3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)

(Rattus
norvegicus) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		5 VAL A 387
LEU A 372
VAL A 322
VAL A 375
LEU A 397
 BOG  A 525 ( 4.8A)
None
None
BOG  A 525 (-3.8A)
None
 0.99A 3gwxA-3bifA:
undetectable		 3gwxA-3bifA:
19.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 VAL A 281
PHE A 282
GLN A 286
ILE A 326
MET A 329
LEU A 339
VAL A 341
VAL A 348
LEU A 353
LYS A 367
 L41  A 501 ( 4.7A)
L41  A 501 ( 4.9A)
None
None
None
L41  A 501 (-4.8A)
L41  A 501 ( 4.4A)
None
None
None
 0.40A 3gwxA-3d5fA:
39.9		 3gwxA-3d5fA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 VAL A 281
PHE A 360
LEU A 339
VAL A 341
VAL A 348
LEU A 353
 L41  A 501 ( 4.7A)
None
L41  A 501 (-4.8A)
L41  A 501 ( 4.4A)
None
None
 1.31A 3gwxA-3d5fA:
39.9		 3gwxA-3d5fA:
99.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddh PUTATIVE HALOACID
DEHALOGENASE-LIKE
FAMILY HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		5 VAL A 220
LEU A 175
VAL A 177
LEU A 226
LYS A   2
 None
 0.97A 3gwxA-3ddhA:
undetectable		 3gwxA-3ddhA:
25.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 PHE D 282
GLN D 286
ILE D 326
MET D 329
LEU D 353
 None
None
PLB  D 701 ( 4.5A)
None
None
 0.70A 3gwxA-3dzuD:
34.3		 3gwxA-3dzuD:
42.43
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.
3ein GLUTATHIONE
S-TRANSFERASE 1-1

(Drosophila
melanogaster) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 ILE A 158
LEU A  27
VAL A  25
VAL A   2
LEU A  56
 None
 0.96A 3gwxA-3einA:
undetectable		 3gwxA-3einA:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gg4 GLYCEROL KINASE

(Yersinia
pseudotuberculosis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLN A 150
LEU A 162
VAL A 159
VAL A  86
LEU A  84
 None
 0.97A 3gwxA-3gg4A:
undetectable		 3gwxA-3gg4A:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hiw VACUOLAR SAPORIN

(Saponaria
officinalis) 		PF00161
(RIP) 		5 ILE A 126
LEU A  65
VAL A  67
VAL A  54
LEU A  56
 None
 1.04A 3gwxA-3hiwA:
undetectable		 3gwxA-3hiwA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hwj E3 UBIQUITIN-PROTEIN
LIGASE MYCBP2

(Mus musculus) 		PF08005
(PHR) 		5 VAL A1755
ILE A1809
LEU A1771
VAL A1773
LEU A1814
 None
 1.06A 3gwxA-3hwjA:
undetectable		 3gwxA-3hwjA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ks2 CHAPERONE PROTEIN
IPGC

(Shigella
flexneri) 		PF07720
(TPR_3) 		5 VAL A 107
PHE A 108
GLN A 112
ILE A 150
LEU A 129
 None
 1.03A 3gwxA-3ks2A:
undetectable		 3gwxA-3ks2A:
16.73
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.
3mal STROMAL CELL-DERIVED
FACTOR 2-LIKE
PROTEIN

(Arabidopsis
thaliana) 		PF02815
(MIR) 		6 GLN A 166
ILE A 202
LEU A  54
VAL A 191
VAL A  70
LEU A 116
 None
 1.47A 3gwxA-3malA:
undetectable		 3gwxA-3malA:
21.99
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.
3nmb PUTATIVE SUGAR
HYDROLASE

(Bacteroides
ovatus) 		PF06439
(DUF1080) 		5 VAL A 286
PHE A 119
VAL A  56
VAL A  36
LEU A  38
 EDO  A   9 (-4.4A)
None
None
None
None
 0.90A 3gwxA-3nmbA:
undetectable		 3gwxA-3nmbA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o82 PEPTIDE ARYLATION
ENZYME

(Acinetobacter
baumannii) 		PF00501
(AMP-binding) 		5 PHE A 167
LEU A  98
VAL A  83
VAL A  94
LEU A  66
 None
 0.81A 3gwxA-3o82A:
undetectable		 3gwxA-3o82A:
20.87
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.
3tgl TRIACYL-GLYCEROL
ACYLHYDROLASE

(Rhizomucor
miehei) 		PF01764
(Lipase_3) 		5 VAL A 138
LEU A 122
VAL A  66
VAL A 126
LEU A 157
 None
 0.96A 3gwxA-3tglA:
undetectable		 3gwxA-3tglA:
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.
3v98 ARACHIDONATE
5-LIPOXYGENASE

(Homo sapiens) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 VAL A  10
ILE A 626
LEU A 111
VAL A  67
LEU A  82
 None
 1.00A 3gwxA-3v98A:
undetectable		 3gwxA-3v98A:
16.25
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 VAL A1375
PHE A1374
LEU A1385
VAL A1381
LEU A1404
 None
 0.92A 3gwxA-3va7A:
undetectable		 3gwxA-3va7A:
12.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3won DIPEPTIDYL
AMINOPEPTIDASE BII

(Pseudoxanthomonas
mexicana) 		PF10459
(Peptidase_S46) 		5 VAL A 206
LEU A 603
VAL A 644
VAL A 606
LEU A 622
 None
 1.04A 3gwxA-3wonA:
undetectable		 3gwxA-3wonA:
18.14
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.
3ze6 PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT

(Desulfovibrio
vulgaris) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 PHE A  11
LEU A 144
VAL A 153
VAL A 140
LEU A 105
 None
 0.79A 3gwxA-3ze6A:
undetectable		 3gwxA-3ze6A:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aq1 SBSB PROTEIN

(Geobacillus
stearothermophilus) 		no annotation 5 VAL C 324
LEU C 375
VAL C 299
VAL C 367
LEU C 369
 None
 1.01A 3gwxA-4aq1C:
undetectable		 3gwxA-4aq1C:
15.81
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.
4b28 METALLOPEPTIDASE,
FAMILY M24, PUTATIVE

(Roseobacter
denitrificans) 		PF00557
(Peptidase_M24) 		5 GLN A 423
ILE A 334
LEU A 350
VAL A 382
LEU A 397
 None
 1.02A 3gwxA-4b28A:
undetectable		 3gwxA-4b28A:
21.01
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.
4bj6 RAP1-INTERACTING
FACTOR 2

(Saccharomyces
cerevisiae) 		no annotation 5 VAL A 235
ILE A 251
VAL A 208
VAL A 194
LEU A 190
 None
 1.07A 3gwxA-4bj6A:
undetectable		 3gwxA-4bj6A:
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.
4ci8 ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 1

(Homo sapiens) 		PF00400
(WD40)
PF03451
(HELP) 		5 VAL A 279
LEU A 256
VAL A 254
VAL A 247
LEU A 241
 None
 0.91A 3gwxA-4ci8A:
undetectable		 3gwxA-4ci8A:
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.
4d9r COMPLEMENT FACTOR D

(Homo sapiens) 		PF00089
(Trypsin) 		5 ILE A 176
LEU A 199
VAL A 213
VAL A 138
LEU A 160
 None
 1.06A 3gwxA-4d9rA:
undetectable		 3gwxA-4d9rA:
19.20
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.
4e4y SHORT CHAIN
DEHYDROGENASE FAMILY
PROTEIN

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		5 VAL A  17
GLN A 210
VAL A 165
VAL A 120
LEU A 220
 None
 1.00A 3gwxA-4e4yA:
undetectable		 3gwxA-4e4yA:
23.21
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.
4g5a UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF11589
(DUF3244) 		5 VAL A 115
ILE A  83
LEU A  58
VAL A  47
LEU A  45
 None
 1.00A 3gwxA-4g5aA:
undetectable		 3gwxA-4g5aA:
17.62
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.
4gn1 RAS-ASSOCIATED AND
PLECKSTRIN HOMOLOGY
DOMAINS-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00169
(PH)
PF00788
(RA) 		5 VAL A 275
LEU A 333
VAL A 287
VAL A 296
LEU A 314
 None
 1.00A 3gwxA-4gn1A:
undetectable		 3gwxA-4gn1A:
23.73
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.
4hy3 PHOSPHOGLYCERATE
OXIDOREDUCTASE

(Rhizobium etli) 		PF02826
(2-Hacid_dh_C) 		5 VAL A 214
PHE A 213
ILE A 288
LEU A 254
VAL A 249
 None
 1.03A 3gwxA-4hy3A:
undetectable		 3gwxA-4hy3A:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hyy MEIOTIC
RECOMBINATION
PROTEIN DMC1/LIM15
HOMOLOG

(Homo sapiens) 		PF08423
(Rad51) 		5 VAL A 264
PHE A 265
LEU A 203
VAL A 206
LEU A 253
 None
 0.95A 3gwxA-4hyyA:
undetectable		 3gwxA-4hyyA:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lbw ELONGATION FACTOR
TU-A

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLN A 125
LEU A 374
VAL A 349
VAL A 378
LEU A 380
 None
 0.99A 3gwxA-4lbwA:
undetectable		 3gwxA-4lbwA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m75 U6 SNRNA-ASSOCIATED
SM-LIKE PROTEIN LSM6

(Saccharomyces
cerevisiae) 		PF01423
(LSM) 		5 VAL D  24
LEU D  73
VAL D  78
VAL D  47
LEU D  49
 None
 1.05A 3gwxA-4m75D:
undetectable		 3gwxA-4m75D:
19.18
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.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394) 		5 GLN A1012
ILE A1004
LEU A 847
VAL A 929
VAL A 843
 None
 1.05A 3gwxA-4n78A:
undetectable		 3gwxA-4n78A:
12.82
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.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394) 		5 ILE A1004
LEU A 847
VAL A 929
VAL A 843
LEU A 792
 None
 1.04A 3gwxA-4n78A:
undetectable		 3gwxA-4n78A:
12.82
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.
4rvc ABC TRANSPORTER
ATP-BINDING PROTEIN

(Geobacillus
kaustophilus) 		PF00005
(ABC_tran) 		5 VAL A  22
ILE A  50
LEU A  34
VAL A 205
LEU A 207
 None
 1.06A 3gwxA-4rvcA:
undetectable		 3gwxA-4rvcA:
24.48
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.
4u67 50S RIBOSOMAL
PROTEIN L30

(Deinococcus
radiodurans) 		PF00327
(Ribosomal_L30) 		5 VAL W  34
LEU W  51
VAL W  53
VAL W  44
LEU W  23
 None
 0.97A 3gwxA-4u67W:
undetectable		 3gwxA-4u67W:
12.70
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 4

(Drosophila
melanogaster) 		PF13191
(AAA_16)
PF14629
(ORC4_C) 		5 PHE D 127
LEU D  84
VAL D  86
VAL D 142
LEU D 132
 None
 1.04A 3gwxA-4xgcD:
undetectable		 3gwxA-4xgcD:
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.
5bqm SOMATOLIBERIN,BOTULI
NUM NEUROTOXIN TYPE
D

(Clostridium
botulinum;
Homo sapiens) 		PF07952
(Toxin_trans) 		5 ILE B 834
LEU B 647
VAL B 667
VAL B 651
LEU B 626
 None
 1.06A 3gwxA-5bqmB:
undetectable		 3gwxA-5bqmB:
20.37
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.
5dhm IMMUNOREACTIVE 32
KDA ANTIGEN

(Porphyromonas
gingivalis) 		no annotation 5 VAL C 100
LEU C 177
VAL C 175
VAL C 116
LEU C  66
 None
 0.82A 3gwxA-5dhmC:
undetectable		 3gwxA-5dhmC:
19.93
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.
5ep1 PUTATIVE REPRESSOR
PROTEIN LUXO

(Photobacterium
angustum) 		PF00158
(Sigma54_activat) 		5 GLN A 259
LEU A 238
VAL A 276
VAL A 230
LEU A 211
 None
 1.07A 3gwxA-5ep1A:
undetectable		 3gwxA-5ep1A:
20.72
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.
5ets 2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE

(Staphylococcus
aureus) 		no annotation 5 GLN B  69
ILE B   2
LEU B   6
VAL B  96
LEU B  26
 None
 1.05A 3gwxA-5etsB:
undetectable		 3gwxA-5etsB:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fhz ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3

(Homo sapiens) 		PF00171
(Aldedh) 		5 VAL A 107
GLN A 102
LEU A 191
VAL A 188
LEU A 216
 None
 1.06A 3gwxA-5fhzA:
undetectable		 3gwxA-5fhzA:
18.55
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 VAL A1375
PHE A1374
LEU A1385
VAL A1381
LEU A1404
 None
 0.92A 3gwxA-5i8iA:
undetectable		 3gwxA-5i8iA:
9.18
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.
5jsy PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT

(Desulfovibrio
vulgaris) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 PHE A  11
LEU A 144
VAL A 153
VAL A 140
LEU A 105
 None
 0.75A 3gwxA-5jsyA:
undetectable		 3gwxA-5jsyA:
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		5 VAL A 222
PHE A 248
LEU A 158
VAL A 162
LEU A 144
 None
 0.91A 3gwxA-5kdxA:
undetectable		 3gwxA-5kdxA:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lfr MYELIN-ASSOCIATED
GLYCOPROTEIN

(Mus musculus) 		PF08205
(C2-set_2)
PF13927
(Ig_3) 		5 VAL A 249
LEU A 292
VAL A 295
VAL A 257
LEU A 259
 NAG  A 408 (-4.4A)
None
None
NAG  A 408 ( 4.4A)
None
 0.99A 3gwxA-5lfrA:
undetectable		 3gwxA-5lfrA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mz9 -

(-) 		no annotation 5 VAL A 325
ILE A 385
LEU A  79
VAL A 111
LEU A 132
 None
 0.99A 3gwxA-5mz9A:
undetectable		 3gwxA-5mz9A:
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 5 GLN B 485
LEU B 397
VAL B 232
VAL B 228
LEU B 401
 None
 1.01A 3gwxA-5nd1B:
undetectable		 3gwxA-5nd1B:
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.
5nf4 MINOR FIMBRIUM TIP
SUBUNIT MFA3

(Porphyromonas
gingivalis) 		no annotation 5 VAL A  71
LEU A  38
VAL A  40
VAL A  99
LEU A 101
 None
 1.02A 3gwxA-5nf4A:
undetectable		 3gwxA-5nf4A:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tdg FUSION GLYCOPROTEIN
F0,FIBRITIN

(Bovine
orthopneumovirus;
Enterobacteria
phage T4 sensu
lato) 		PF00523
(Fusion_gly)
PF07921
(Fibritin_C) 		5 VAL A 187
LEU A 158
VAL A 300
VAL A 154
LEU A 181
 None
 1.03A 3gwxA-5tdgA:
undetectable		 3gwxA-5tdgA:
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.
5to3 PROTHROMBIN,THROMBOM
ODULIN

(Homo sapiens) 		PF00089
(Trypsin)
PF09064
(Tme5_EGF_like) 		5 ILE B 115
LEU B  33
VAL B  31
VAL B  76
LEU B  96
 None
 1.07A 3gwxA-5to3B:
undetectable		 3gwxA-5to3B:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 ILE A 284
LEU A 248
VAL A 247
VAL A 251
LEU A 173
 None
 0.91A 3gwxA-5vi6A:
undetectable		 3gwxA-5vi6A:
21.72
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.
5vto BLASTICIDIN M

(Streptomyces
griseochromogenes) 		no annotation 5 GLN A  53
ILE A  47
LEU A 119
VAL A 117
VAL A 144
 None
 1.07A 3gwxA-5vtoA:
undetectable		 3gwxA-5vtoA:
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.
5vvo PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		5 PHE A 133
ILE A 137
LEU A 248
VAL A 276
LEU A 311
 None
 1.03A 3gwxA-5vvoA:
undetectable		 3gwxA-5vvoA:
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.
5xtb NADH DEHYDROGENASE
[UBIQUINONE]
FLAVOPROTEIN 2,
MITOCHONDRIAL

(Homo sapiens) 		PF01257
(2Fe-2S_thioredx) 		5 VAL O 107
ILE O  95
LEU O  83
VAL O 115
VAL O  79
 None
 1.05A 3gwxA-5xtbO:
undetectable		 3gwxA-5xtbO:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xw6 P2X PURINOCEPTOR

(Gallus gallus) 		no annotation 5 ILE C  82
LEU C  65
VAL C  63
VAL C 178
LEU C 219
 None
None
None
128  C 502 (-4.7A)
None
 0.89A 3gwxA-5xw6C:
undetectable		 3gwxA-5xw6C:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yb7 L-AMINO ACID
OXIDASE/MONOOXYGENAS
E

(Pseudomonas sp.
AIU 813) 		no annotation 5 VAL A 268
ILE A  50
VAL A 521
VAL A 517
LEU A  83
 None
None
None
FAD  A 601 (-3.9A)
FAD  A 601 (-4.1A)
 1.00A 3gwxA-5yb7A:
undetectable		 3gwxA-5yb7A:
17.94
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.
5ygf GH18329P

(Drosophila
melanogaster) 		no annotation 5 VAL A 276
ILE A 403
LEU A 384
VAL A 448
LEU A 450
 None
 1.07A 3gwxA-5ygfA:
undetectable		 3gwxA-5ygfA:
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.
6b5c KATANIN P60
ATPASE-CONTAINING
SUBUNIT A-LIKE 1

(Homo sapiens) 		no annotation 6 VAL A 272
PHE A 305
ILE A 364
LEU A 332
VAL A 328
VAL A 289
 None
 1.42A 3gwxA-6b5cA:
undetectable		 3gwxA-6b5cA:
14.01
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.
6fhs RUVB-LIKE HELICASE

(Chaetomium
thermophilum) 		no annotation 5 GLN A 409
ILE A 375
LEU A 387
VAL A 385
VAL A 426
 None
ADP  A 501 (-3.9A)
None
None
None
 1.07A 3gwxA-6fhsA:
undetectable		 3gwxA-6fhsA:
16.22
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.
19hc PROTEIN (NINE-HAEM
CYTOCHROME C)

(Desulfovibrio
desulfuricans) 		PF02085
(Cytochrom_CIII) 		5 CYH A 114
THR A 118
THR A 119
ILE A 208
HIS A 218
 HEM  A 304 ( 1.8A)
HEM  A 304 (-3.2A)
None
HEM  A 304 (-4.1A)
HEM  A 304 (-3.2A)
 1.19A 3gwxA-19hcA:
undetectable		 3gwxA-19hcA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bxt PROTEIN
(STREPTOCOCCAL
SUPERANTIGEN)

(Streptococcus
pyogenes) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		5 THR A 219
THR A 152
THR A 114
ILE A 144
ILE A 128
 None
 1.32A 3gwxA-1bxtA:
0.0		 3gwxA-1bxtA:
19.43
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.
1cnz PROTEIN
(3-ISOPROPYLMALATE
DEHYDROGENASE)

(Salmonella
enterica) 		PF00180
(Iso_dh) 		5 THR A  39
THR A  40
HIS A  42
ILE A  71
LEU A  24
 None
 1.29A 3gwxA-1cnzA:
undetectable		 3gwxA-1cnzA:
21.11
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.
1dys ENDOGLUCANASE

(Humicola
insolens) 		PF01341
(Glyco_hydro_6) 		5 THR A 196
LEU A 259
ILE A 213
LEU A 187
TYR A 246
 None
 1.31A 3gwxA-1dysA:
0.0		 3gwxA-1dysA:
20.96
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.
1fy1 HEPARIN-BINDING
PROTEIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 THR A 147
THR A 161
THR A 149
ILE A   1
LEU A 179
 None
 1.12A 3gwxA-1fy1A:
undetectable		 3gwxA-1fy1A:
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.
1o12 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 THR A  81
THR A  82
THR A  58
ILE A 143
ILE A 170
 None
 1.19A 3gwxA-1o12A:
undetectable		 3gwxA-1o12A:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y1u SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION 5A

(Mus musculus) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		5 THR A 158
LEU A 151
ILE A 320
ILE A 286
LEU A 229
 None
 1.25A 3gwxA-1y1uA:
0.0		 3gwxA-1y1uA:
20.29
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.
1ye8 HYPOTHETICAL UPF0334
KINASE-LIKE PROTEIN
AQ_1292

(Aquifex
aeolicus) 		PF03266
(NTPase_1) 		5 THR A  52
LEU A  24
ILE A   3
MET A 126
LEU A  88
 None
 1.34A 3gwxA-1ye8A:
0.0		 3gwxA-1ye8A:
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.
2c4k PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 1

(Homo sapiens) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		5 THR A 308
THR A 325
LEU A  22
ILE A  66
LEU A 289
 None
 1.06A 3gwxA-2c4kA:
0.0		 3gwxA-2c4kA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c79 GLYCOSIDE HYDROLASE,
FAMILY
11:CLOSTRIDIUM
CELLULOSOME ENZYME,
DOCKERIN TYPE
I:POLYSACCHARIDE

(Ruminiclostridium
thermocellum) 		PF01522
(Polysacc_deac_1) 		5 THR A 510
THR A 659
ILE A 525
ILE A 526
LEU A 502
 None
 1.11A 3gwxA-2c79A:
0.0		 3gwxA-2c79A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ctz O-ACETYL-L-HOMOSERIN
E SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 THR A 103
THR A 128
ILE A 153
ILE A 160
LEU A 106
 None
 1.15A 3gwxA-2ctzA:
undetectable		 3gwxA-2ctzA:
23.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dch PUTATIVE HOMING
ENDONUCLEASE

(Thermoproteus) 		PF14528
(LAGLIDADG_3) 		5 THR X 142
LEU X 135
ILE X 103
ILE X 128
LEU X 146
 None
 1.33A 3gwxA-2dchX:
undetectable		 3gwxA-2dchX:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ea9 HYPOTHETICAL PROTEIN
YFJZ

(Escherichia
coli) 		PF06154
(CbeA_antitoxin) 		5 CYH A  92
THR A  91
ILE A  63
ILE A  66
LEU A  55
 None
 1.17A 3gwxA-2ea9A:
undetectable		 3gwxA-2ea9A:
16.24
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.
2ep7 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Aquifex
aeolicus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 CYH A 284
LEU A 306
ILE A 293
ILE A 288
LEU A 281
 None
 1.02A 3gwxA-2ep7A:
undetectable		 3gwxA-2ep7A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 THR B 202
THR B 205
LEU B 161
ILE B  70
MET B 269
 None
 1.31A 3gwxA-2f9iB:
undetectable		 3gwxA-2f9iB:
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.
2hmc DIHYDRODIPICOLINATE
SYNTHASE

(Agrobacterium
fabrum) 		PF00701
(DHDPS) 		5 THR A 187
THR A 180
ILE A   5
ILE A  75
TYR A  -3
 None
 1.14A 3gwxA-2hmcA:
undetectable		 3gwxA-2hmcA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j1q ARGININE KINASE

(Trypanosoma
cruzi) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 CYH A 271
THR A 269
LEU A  82
ILE A  65
HIS A  90
 None
 1.16A 3gwxA-2j1qA:
undetectable		 3gwxA-2j1qA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ng1 SIGNAL SEQUENCE
RECOGNITION PROTEIN
FFH

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 THR A  48
LEU A  31
ILE A  13
ILE A  74
LEU A   5
 None
 1.25A 3gwxA-2ng1A:
undetectable		 3gwxA-2ng1A:
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.
2nuh PERIPLASMIC DIVALENT
CATION TOLERANCE
PROTEIN

(Xylella
fastidiosa) 		PF03091
(CutA1) 		5 CYH A  33
THR A  35
LEU A   7
ILE A 105
ILE A 101
 None
 1.26A 3gwxA-2nuhA:
undetectable		 3gwxA-2nuhA:
18.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 CYH A 276
THR A 279
THR A 283
HIS A 440
LEU A 460
TYR A 464
 735  A 469 (-2.9A)
735  A 469 (-3.6A)
None
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 0.47A 3gwxA-2p54A:
37.9		 3gwxA-2p54A:
70.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 CYH A 276
THR A 283
ILE A 354
HIS A 440
LEU A 460
TYR A 464
 735  A 469 (-2.9A)
None
735  A 469 (-3.7A)
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 0.77A 3gwxA-2p54A:
37.9		 3gwxA-2p54A:
70.52
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.
2qik UPF0131 PROTEIN YKQA

(Bacillus
subtilis) 		PF06094
(GGACT)
PF13772
(AIG2_2) 		5 THR A 165
THR A 187
THR A 186
ILE A 252
MET A 138
 None
 1.33A 3gwxA-2qikA:
undetectable		 3gwxA-2qikA:
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.
2vd3 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Methanothermobacter
thermautotrophicus) 		PF01634
(HisG)
PF08029
(HisG_C) 		5 THR A 157
THR A 144
ILE A 104
ILE A 110
LEU A 171
 CL  A1293 (-4.0A)
CL  A1293 ( 3.9A)
None
None
None
 1.32A 3gwxA-2vd3A:
undetectable		 3gwxA-2vd3A:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x6k PHOSPHOTIDYLINOSITOL
3 KINASE 59F

(Drosophila
melanogaster) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka) 		5 THR A 798
LEU A 729
ILE A 788
MET A 849
LEU A 841
 None
 1.21A 3gwxA-2x6kA:
undetectable		 3gwxA-2x6kA:
18.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 CYH A 285
HIS A 323
HIS A 449
LEU A 469
TYR A 473
 MC5  A   1 (-3.6A)
MC5  A   1 (-3.8A)
MC5  A   1 (-3.9A)
MC5  A   1 (-4.1A)
MC5  A   1 (-4.9A)
 0.67A 3gwxA-3b0qA:
36.2		 3gwxA-3b0qA:
61.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 CYH A 285
HIS A 323
LEU A 330
HIS A 449
TYR A 473
 MC5  A   1 (-3.6A)
MC5  A   1 (-3.8A)
MC5  A   1 (-4.4A)
MC5  A   1 (-3.9A)
MC5  A   1 (-4.9A)
 0.87A 3gwxA-3b0qA:
36.2		 3gwxA-3b0qA:
61.68
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.
3bex TYPE III
PANTOTHENATE KINASE

(Thermotoga
maritima) 		PF03309
(Pan_kinase) 		5 THR A 130
THR A 131
ILE A 202
ILE A 199
TYR A 140
 None
PAU  A 248 (-4.5A)
None
None
None
 1.29A 3gwxA-3bexA:
undetectable		 3gwxA-3bexA:
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.
3c4a PROBABLE TRYPTOPHAN
HYDROXYLASE VIOD

(Chromobacterium
violaceum) 		no annotation 5 THR A 282
THR A 283
LEU A  58
HIS A  53
LEU A 363
 FAD  A 401 (-3.7A)
None
None
None
None
 1.27A 3gwxA-3c4aA:
undetectable		 3gwxA-3c4aA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans) 		PF00149
(Metallophos) 		5 THR A  32
THR A  33
THR A  35
HIS A 217
LEU A 110
 None
None
None
ZN  A 601 (-3.5A)
None
 1.22A 3gwxA-3c9fA:
undetectable		 3gwxA-3c9fA:
20.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 CYH A 285
THR A 288
LEU A 339
ILE A 363
ILE A 364
 L41  A 501 (-3.5A)
L41  A 501 (-3.0A)
L41  A 501 (-4.8A)
L41  A 501 ( 4.4A)
L41  A 501 ( 4.2A)
 1.20A 3gwxA-3d5fA:
39.9		 3gwxA-3d5fA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 CYH A 285
THR A 288
THR A 289
THR A 292
HIS A 323
LEU A 330
ILE A 363
ILE A 364
HIS A 449
MET A 453
LEU A 469
TYR A 473
 L41  A 501 (-3.5A)
L41  A 501 (-3.0A)
L41  A 501 (-3.5A)
None
L41  A 501 (-3.8A)
L41  A 501 (-4.9A)
L41  A 501 ( 4.4A)
L41  A 501 ( 4.2A)
L41  A 501 (-3.9A)
L41  A 501 ( 3.7A)
L41  A 501 (-3.8A)
L41  A 501 (-4.8A)
 0.54A 3gwxA-3d5fA:
39.9		 3gwxA-3d5fA:
99.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC

(Caulobacter
vibrioides) 		PF01964
(ThiC_Rad_SAM)
PF13667
(ThiC-associated) 		5 THR A 246
LEU A 203
ILE A 193
ILE A 194
MET A 411
 None
 1.04A 3gwxA-3epmA:
undetectable		 3gwxA-3epmA:
17.73
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.
3h7o GROUP 3 ALLERGEN
SMIPP-S YV6023A04

(Sarcoptes
scabiei) 		PF00089
(Trypsin) 		5 THR A  15
LEU A 194
ILE A 226
ILE A 222
LEU A 100
 None
 1.32A 3gwxA-3h7oA:
undetectable		 3gwxA-3h7oA:
24.56
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.
3ibh SACCHAROMYCES
CEREVISIAE GTT2

(Saccharomyces
cerevisiae) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 HIS A 133
LEU A 125
ILE A 197
ILE A 193
LEU A  53
 GSH  A 234 (-3.4A)
None
None
None
GSH  A 234 ( 4.6A)
 1.33A 3gwxA-3ibhA:
undetectable		 3gwxA-3ibhA:
23.97
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.
3kl2 PUTATIVE
ISOCHORISMATASE

(Streptomyces
avermitilis) 		PF00857
(Isochorismatase) 		5 CYH A 181
THR A 185
THR A 188
ILE A  97
LEU A 173
 None
 0.65A 3gwxA-3kl2A:
undetectable		 3gwxA-3kl2A:
22.92
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.
3lhl PUTATIVE AGMATINASE

(Clostridioides
difficile) 		PF00491
(Arginase) 		5 THR A 229
THR A 227
HIS A 150
ILE A 171
TYR A 143
 None
None
PO4  A 305 ( 4.2A)
None
PO4  A 305 ( 4.5A)
 1.34A 3gwxA-3lhlA:
undetectable		 3gwxA-3lhlA:
18.97
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.
3lkb PROBABLE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER, AMINO
ACID BINDING PROTEIN

(Thermus
thermophilus) 		PF13458
(Peripla_BP_6) 		5 THR A 124
THR A 253
ILE A 296
ILE A 343
TYR A  27
 None
 1.34A 3gwxA-3lkbA:
undetectable		 3gwxA-3lkbA:
24.62
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.
3nnk UREIDOGLYCINE-GLYOXY
LATE
AMINOTRANSFERASE

(Klebsiella
pneumoniae) 		PF00266
(Aminotran_5) 		5 CYH A 375
THR A 378
THR A 379
ILE A  22
LEU A 302
 None
None
None
LLP  A 200 ( 4.1A)
None
 1.06A 3gwxA-3nnkA:
undetectable		 3gwxA-3nnkA:
19.76
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.
3olz GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 CYH A 202
THR A 230
THR A 229
ILE A 210
LEU A 157
 None
 1.13A 3gwxA-3olzA:
undetectable		 3gwxA-3olzA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A 324
ILE A 387
ILE A 389
MET A 339
LEU A 311
 None
 1.25A 3gwxA-3oneA:
undetectable		 3gwxA-3oneA:
19.88
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.
3s5r TRANSCRIPTIONAL
REGULATOR TETR
FAMILY

(Syntrophus
aciditrophicus) 		PF00440
(TetR_N) 		5 CYH A  98
THR A 100
ILE A  72
ILE A  94
MET A  71
 None
 1.16A 3gwxA-3s5rA:
undetectable		 3gwxA-3s5rA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tej ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00550
(PP-binding)
PF00975
(Thioesterase) 		5 THR A1166
LEU A1135
ILE A1286
ILE A1283
LEU A1262
 None
 1.17A 3gwxA-3tejA:
undetectable		 3gwxA-3tejA:
19.88
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.
3tqp ENOLASE

(Coxiella
burnetii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 THR A 350
LEU A 338
ILE A 362
ILE A 363
LEU A 322
 None
 1.22A 3gwxA-3tqpA:
undetectable		 3gwxA-3tqpA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3txa CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF00092
(VWA) 		5 THR A 695
THR A 696
ILE A 603
LEU A 205
TYR A 675
 None
 1.23A 3gwxA-3txaA:
undetectable		 3gwxA-3txaA:
17.66
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.
3uwq OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Vibrio cholerae) 		PF00215
(OMPdecase) 		5 LEU A 119
ILE A 132
ILE A 130
HIS A 139
LEU A 146
 None
 1.30A 3gwxA-3uwqA:
undetectable		 3gwxA-3uwqA:
21.31
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.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 HIS A 154
ILE A 122
ILE A 165
MET A 120
LEU A 214
 None
 1.20A 3gwxA-3vueA:
undetectable		 3gwxA-3vueA:
18.70
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.
3vwa CYTOPLASMIC EXPORT
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 5 THR A 404
THR A 407
LEU A 365
ILE A 381
ILE A 385
 None
 1.21A 3gwxA-3vwaA:
undetectable		 3gwxA-3vwaA:
18.75
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 THR A 531
THR A 533
LEU A 512
ILE A 551
ILE A 552
 None
 1.20A 3gwxA-3zq4A:
undetectable		 3gwxA-3zq4A:
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.
4aur LEOA

(Escherichia
coli) 		PF00350
(Dynamin_N) 		5 THR A 435
THR A 436
ILE A 549
ILE A 428
LEU A 542
 None
 1.26A 3gwxA-4aurA:
undetectable		 3gwxA-4aurA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c1n CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE,
IRON-SULFUR PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF03599
(CdhD) 		5 THR B 233
LEU B 238
ILE B 224
ILE B 223
LEU B  34
 None
 1.30A 3gwxA-4c1nB:
undetectable		 3gwxA-4c1nB:
22.80
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.
4f8c CYCLE INHIBITING
FACTOR

(Yersinia
pseudotuberculosis) 		PF16374
(CIF) 		5 THR A 201
ILE A 230
ILE A 235
HIS A 226
TYR A 175
 None
EDO  A 302 ( 4.5A)
EDO  A 302 (-4.6A)
EDO  A 302 (-3.9A)
None
 1.01A 3gwxA-4f8cA:
undetectable		 3gwxA-4f8cA:
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.
4fm9 DNA TOPOISOMERASE
2-ALPHA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 THR A 460
THR A 540
LEU A 553
ILE A 513
ILE A 510
 None
 1.23A 3gwxA-4fm9A:
undetectable		 3gwxA-4fm9A:
16.14
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.
4jz7 CARBAMATE KINASE

(Giardia
intestinalis) 		PF00696
(AA_kinase) 		5 THR A 286
THR A 289
ILE A 295
ILE A 234
LEU A 258
 None
 0.92A 3gwxA-4jz7A:
undetectable		 3gwxA-4jz7A:
22.35
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.
4pfy ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 THR A 436
ILE A 394
ILE A 397
LEU A 422
TYR A 418
 None
 1.22A 3gwxA-4pfyA:
undetectable		 3gwxA-4pfyA:
18.88
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.
4ptf DNA POLYMERASE
EPSILON CATALYTIC
SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 CYH A 497
THR A 498
LEU A  79
MET A 420
TYR A 485
 None
 1.33A 3gwxA-4ptfA:
undetectable		 3gwxA-4ptfA:
11.45
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.
4qxa RAS-RELATED PROTEIN
RAB-9A

(Mus musculus) 		PF00071
(Ras) 		5 THR A 126
THR A 153
THR A 159
ILE A 121
LEU A  23
 None
 1.02A 3gwxA-4qxaA:
undetectable		 3gwxA-4qxaA:
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.
4rf7 ARGININE KINASE

(Anthopleura
japonica) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 HIS A 216
LEU A 160
ILE A 235
ILE A 234
LEU A 185
 None
 1.26A 3gwxA-4rf7A:
undetectable		 3gwxA-4rf7A:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s28 PHOSPHOMETHYLPYRIMID
INE SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01964
(ThiC_Rad_SAM) 		5 THR A 255
LEU A 212
ILE A 202
ILE A 203
MET A 420
 None
 1.09A 3gwxA-4s28A:
undetectable		 3gwxA-4s28A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wpz CYTOCHROME P450

(Streptomyces
avermitilis) 		PF00067
(p450) 		5 THR A 288
THR A 287
THR A 286
ILE A   9
LEU A  26
 None
K  A 501 (-3.5A)
None
None
None
 1.18A 3gwxA-4wpzA:
undetectable		 3gwxA-4wpzA:
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.
4y07 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP2

(Homo sapiens) 		PF00632
(HECT) 		5 THR A 799
THR A 837
ILE A 755
ILE A 792
LEU A 812
 None
 1.18A 3gwxA-4y07A:
undetectable		 3gwxA-4y07A:
21.37
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.
4yte H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ0715

(Methanocaldococcus
jannaschii) 		no annotation 5 THR A 115
THR A  89
ILE A 111
ILE A  84
LEU A 123
 None
 1.35A 3gwxA-4yteA:
undetectable		 3gwxA-4yteA:
20.22
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.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I,
MODIFICATION SUBUNIT

(Escherichia
coli) 		PF01555
(N6_N4_Mtase) 		5 THR A 446
THR A 447
THR A 450
LEU A 422
ILE A 197
 None
 0.90A 3gwxA-4zcfA:
undetectable		 3gwxA-4zcfA:
19.54
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.
4zv6 ALPHAREP-7

(synthetic
construct) 		PF13646
(HEAT_2) 		5 THR A 250
LEU A 224
ILE A 237
MET A 267
TYR A 285
 None
 1.13A 3gwxA-4zv6A:
undetectable		 3gwxA-4zv6A:
21.22
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.
5b7d LYSR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Vibrio
vulnificus) 		PF03466
(LysR_substrate) 		5 THR A 137
THR A 136
THR A 135
HIS A 210
LEU A 153
 None
 0.82A 3gwxA-5b7dA:
undetectable		 3gwxA-5b7dA:
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.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
TRANSMEMBRANE
PROTEIN ECFT

(Lactobacillus
delbrueckii) 		PF02361
(CbiQ) 		5 THR D 127
THR D 129
ILE D  32
ILE D 119
LEU D  25
 None
 1.29A 3gwxA-5d3mD:
undetectable		 3gwxA-5d3mD:
23.40
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.
5d9a POLYMERASE ACIDIC
PROTEIN

(Influenza C
virus) 		PF00603
(Flu_PA) 		5 CYH A 570
THR A 573
THR A 574
THR A 577
LEU A 426
 None
 0.98A 3gwxA-5d9aA:
undetectable		 3gwxA-5d9aA:
16.64
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.
5dcq ARTIFICIAL REPEAT
PROTEINS (ALPHAREP3)

(synthetic
construct) 		PF03130
(HEAT_PBS)
PF13646
(HEAT_2) 		5 THR A 125
LEU A  99
ILE A 112
MET A 142
TYR A 160
 None
 1.13A 3gwxA-5dcqA:
undetectable		 3gwxA-5dcqA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ec3 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Homo sapiens) 		PF00903
(Glyoxalase)
PF13669
(Glyoxalase_4) 		5 THR A 337
HIS A 266
LEU A 269
HIS A 183
LEU A 367
 THR  A 337 ( 0.8A)
HIS  A 266 (-1.0A)
LEU  A 269 ( 0.6A)
HIS  A 183 (-1.0A)
LEU  A 367 ( 0.6A)
 1.29A 3gwxA-5ec3A:
undetectable		 3gwxA-5ec3A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ere EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfohalobium
retbaense) 		PF13458
(Peripla_BP_6) 		5 LEU A 588
ILE A 370
ILE A 496
MET A 374
LEU A 454
 None
 1.33A 3gwxA-5ereA:
undetectable		 3gwxA-5ereA:
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.
5f0k VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 35

(Homo sapiens) 		PF03635
(Vps35) 		5 THR A 375
THR A 376
LEU A 350
ILE A 404
LEU A 424
 None
 1.18A 3gwxA-5f0kA:
undetectable		 3gwxA-5f0kA:
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.
5fn4 NICASTRIN

(Homo sapiens) 		PF05450
(Nicastrin) 		5 THR A 561
THR A 564
THR A 563
ILE A 338
LEU A 627
 None
 0.97A 3gwxA-5fn4A:
undetectable		 3gwxA-5fn4A:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		5 THR A1977
LEU A2005
ILE A2151
ILE A2150
LEU A2236
 None
 1.26A 3gwxA-5h64A:
undetectable		 3gwxA-5h64A:
7.90
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.
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B

(Homo sapiens) 		no annotation 5 THR A 198
LEU A 221
ILE A 233
ILE A 229
LEU A 251
 None
 1.25A 3gwxA-5hdtA:
undetectable		 3gwxA-5hdtA:
13.58
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.
5hgc SERPIN

(Taeniopygia
guttata) 		PF00079
(Serpin) 		5 THR A  64
HIS A  98
LEU A 145
ILE A 326
LEU A  82
 None
BDG  A 505 ( 4.6A)
None
None
None
 1.09A 3gwxA-5hgcA:
undetectable		 3gwxA-5hgcA:
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		5 THR A 619
THR A 620
HIS A 611
HIS A 566
MET A 564
 None
 1.23A 3gwxA-5j44A:
undetectable		 3gwxA-5j44A:
13.68
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.
5lkm DNA REPAIR PROTEIN
RADA

(Streptococcus
pneumoniae) 		PF13481
(AAA_25)
PF13541
(ChlI) 		5 THR A 324
THR A 323
LEU A 361
ILE A 374
MET A 335
 None
 1.34A 3gwxA-5lkmA:
undetectable		 3gwxA-5lkmA:
23.25
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.
5lkq DNA REPAIR PROTEIN
RADA

(Streptococcus
pneumoniae) 		PF13541
(ChlI) 		5 THR A 324
THR A 323
LEU A 361
ILE A 374
MET A 335
 None
 1.30A 3gwxA-5lkqA:
undetectable		 3gwxA-5lkqA:
22.81
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 5 THR A  82
THR A  84
ILE A 760
MET A 810
LEU A 777
 None
 1.17A 3gwxA-5nd1A:
undetectable		 3gwxA-5nd1A:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nnb ISATIN HYDROLASE A

(Labrenzia
aggregata) 		no annotation 5 CYH A 108
THR A 145
THR A 189
ILE A 125
ILE A 124
 None
 1.35A 3gwxA-5nnbA:
undetectable		 3gwxA-5nnbA:
13.33
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.
5td3 CATECHOL
1,2-DIOXYGENASE

(Burkholderia
vietnamiensis) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 THR A 250
THR A 115
HIS A 235
ILE A 147
TYR A 175
 None
None
ZN  A 401 (-3.2A)
None
ZN  A 401 (-4.2A)
 1.20A 3gwxA-5td3A:
undetectable		 3gwxA-5td3A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5td3 CATECHOL
1,2-DIOXYGENASE

(Burkholderia
vietnamiensis) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 THR A 250
THR A 115
HIS A 235
ILE A 295
TYR A 175
 None
None
ZN  A 401 (-3.2A)
None
ZN  A 401 (-4.2A)
 1.32A 3gwxA-5td3A:
undetectable		 3gwxA-5td3A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5txr 5-AMINOLEVULINATE
SYNTHASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		no annotation 5 CYH B 119
THR B 463
THR B 465
ILE B 438
LEU B 476
 None
 1.33A 3gwxA-5txrB:
undetectable		 3gwxA-5txrB:
12.55
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.
5umh CATECHOL
1,2-DIOXYGENASE

(Burkholderia
multivorans) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 THR A 239
THR A 104
HIS A 224
ILE A 136
TYR A 164
 None
None
ZN  A 401 ( 3.3A)
None
ZN  A 401 ( 4.2A)
 1.24A 3gwxA-5umhA:
undetectable		 3gwxA-5umhA:
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.
5umh CATECHOL
1,2-DIOXYGENASE

(Burkholderia
multivorans) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 THR A 239
THR A 104
HIS A 224
ILE A 284
TYR A 164
 None
None
ZN  A 401 ( 3.3A)
None
ZN  A 401 ( 4.2A)
 1.28A 3gwxA-5umhA:
undetectable		 3gwxA-5umhA:
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.
5uuo GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN

(Novosphingobium
aromaticivorans) 		no annotation 5 THR B  63
LEU B 262
ILE B 289
LEU B 214
TYR B 209
 None
 1.33A 3gwxA-5uuoB:
undetectable		 3gwxA-5uuoB:
15.10
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.
5x2q TASTE RECEPTOR, TYPE
1, MEMBER 2A

(Oryzias latipes) 		PF01094
(ANF_receptor) 		5 THR A 141
HIS A 100
ILE A  42
ILE A  64
LEU A  39
 GLY  A 951 (-4.4A)
None
None
None
None
 1.30A 3gwxA-5x2qA:
undetectable		 3gwxA-5x2qA:
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.
5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE

(Vibrio sp. EJY3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 THR A  38
THR A  37
ILE A  84
MET A  88
LEU A  65
 None
 1.15A 3gwxA-5xd7A:
undetectable		 3gwxA-5xd7A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 5 THR A 593
THR A 592
LEU A 480
ILE A 356
ILE A 350
 None
ANP  A1001 (-2.7A)
None
None
None
 1.22A 3gwxA-5xiiA:
undetectable		 3gwxA-5xiiA:
13.92
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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)

(Cryptosporidium
parvum) 		no annotation 5 THR A 369
THR A 374
HIS A 367
ILE A 442
ILE A 439
 None
ANP  A 803 (-4.3A)
None
None
None
 1.30A 3gwxA-5xioA:
undetectable		 3gwxA-5xioA:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xyn PLATINUM SENSITIVITY
PROTEIN 3

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A  60
ILE A 222
ILE A 223
MET A 216
LEU A 138
 None
 1.26A 3gwxA-5xynA:
undetectable		 3gwxA-5xynA:
23.45
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.
5xyn PLATINUM SENSITIVITY
PROTEIN 3

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A  60
ILE A 222
MET A 216
LEU A 138
TYR A 215
 None
 1.18A 3gwxA-5xynA:
undetectable		 3gwxA-5xynA:
23.45
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.
5y0m -

(-) 		no annotation 5 THR A 315
LEU A 213
ILE A 104
ILE A  75
LEU A 283
 None
 1.33A 3gwxA-5y0mA:
undetectable		 3gwxA-5y0mA:
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.
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR

(Homo sapiens) 		no annotation 5 THR A2364
LEU A2338
ILE A2470
MET A2543
LEU A2349
 None
 1.31A 3gwxA-5yz0A:
undetectable		 3gwxA-5yz0A:
15.42
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.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A 280
ILE A 341
ILE A 343
MET A 295
LEU A 267
 None
 1.31A 3gwxA-6aphA:
undetectable		 3gwxA-6aphA:
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 5 THR A 481
THR A 480
THR A 479
LEU A 447
ILE A 422
 None
 1.35A 3gwxA-6eksA:
undetectable		 3gwxA-6eksA:
16.36
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 5 THR A 826
LEU A1286
ILE A  60
HIS A1221
TYR A   4
 None
 1.32A 3gwxA-6eojA:
undetectable		 3gwxA-6eojA:
12.47
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.
6eyy ACRIIA6

(Streptococcus
phage 73) 		no annotation 5 LEU A  12
ILE A   3
ILE A  48
MET A   1
LEU A  69
 None
 1.25A 3gwxA-6eyyA:
undetectable		 3gwxA-6eyyA:
15.50
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 5 THR A2252
LEU A2303
HIS A2183
LEU A2201
TYR A2197
 None
 1.33A 3gwxA-6ez8A:
undetectable		 3gwxA-6ez8A:
10.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g2j NADH DEHYDROGENASE
[UBIQUINONE]
FLAVOPROTEIN 1,
MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
4, MITOCHONDRIAL

(Mus musculus) 		no annotation 5 CYH F 405
THR F 403
ILE F 185
LEU F 205
TYR Q 118
 SF4  F 502 (-2.2A)
SF4  F 502 ( 4.0A)
SF4  F 502 ( 4.2A)
None
None
 1.11A 3gwxA-6g2jF:
undetectable		 3gwxA-6g2jF:
14.02
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 5 THR L 284
THR L 285
THR L 288
LEU L 310
ILE L 395
 None
 1.16A 3gwxA-6g2jL:
undetectable		 3gwxA-6g2jL:
14.02