SIMILAR PATTERNS OF AMINO ACIDS FOR 3GWX_B_EPAB3

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.
1awc PROTEIN (GA BINDING
PROTEIN ALPHA)
PROTEIN (GA BINDING
PROTEIN BETA 1)

(Mus musculus) 		PF00178
(Ets)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 THR B  39
THR B  68
LEU A 406
LEU B  44
TYR B  48
 None
 1.16A 3gwxB-1awcB:
undetectable		 3gwxB-1awcB:
20.52
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.
1dkr PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE

(Bacillus
subtilis) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		5 THR A 275
HIS A 253
LEU A 256
ILE A 286
LEU A 132
 None
 1.47A 3gwxB-1dkrA:
0.0		 3gwxB-1dkrA:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 THR A 170
THR A 130
GLU A 167
LEU A 173
ILE A 202
 THR  A 170 ( 0.8A)
THR  A 130 ( 0.8A)
GLU  A 167 ( 0.5A)
LEU  A 173 ( 0.6A)
ILE  A 202 ( 0.7A)
 1.22A 3gwxB-1fxjA:
undetectable		 3gwxB-1fxjA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j6o TATD-RELATED
DEOXYRIBONUCLEASE

(Thermotoga
maritima) 		PF01026
(TatD_DNase) 		5 THR A 243
THR A 242
LEU A 220
ILE A  28
LEU A 193
 None
 1.39A 3gwxB-1j6oA:
undetectable		 3gwxB-1j6oA:
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.
1ksi COPPER AMINE OXIDASE

(Pisum sativum) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 THR A  14
HIS A 236
LEU A  43
ILE A  67
HIS A 246
 None
 1.33A 3gwxB-1ksiA:
0.0		 3gwxB-1ksiA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kut PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Thermotoga
maritima) 		PF01259
(SAICAR_synt) 		5 CYH A  43
THR A  46
THR A  47
LYS A 170
LEU A  72
 None
 1.19A 3gwxB-1kutA:
0.0		 3gwxB-1kutA:
22.46
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.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		5 THR A 274
HIS A 282
LEU A 236
ILE A  32
HIS A 294
 None
 1.48A 3gwxB-1l2qA:
0.0		 3gwxB-1l2qA:
21.46
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.
1lw3 MYOTUBULARIN-RELATED
PROTEIN 2

(Homo sapiens) 		PF02893
(GRAM)
PF06602
(Myotub-related) 		5 CYH A 284
THR A 282
LEU A 303
ILE A 316
LEU A 244
 None
 1.43A 3gwxB-1lw3A:
0.0		 3gwxB-1lw3A:
18.99
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.
1o6b PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Bacillus
subtilis) 		PF01467
(CTP_transf_like) 		5 THR A 115
GLU A 114
LEU A  74
ILE A  75
LEU A  90
 None
 1.42A 3gwxB-1o6bA:
undetectable		 3gwxB-1o6bA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rwr FILAMENTOUS
HEMAGGLUTININ

(Bordetella
pertussis) 		PF05860
(Haemagg_act) 		5 THR A 123
THR A 125
LEU A  77
ILE A 136
LEU A  88
 None
 1.36A 3gwxB-1rwrA:
undetectable		 3gwxB-1rwrA:
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.
1suu DNA GYRASE SUBUNIT A

(Borreliella
burgdorferi) 		PF03989
(DNA_gyraseA_C) 		5 THR A 652
THR A 619
THR A 618
LEU A 695
LEU A 645
 None
 1.38A 3gwxB-1suuA:
undetectable		 3gwxB-1suuA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vb3 THREONINE SYNTHASE

(Escherichia
coli) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		5 THR A 335
THR A 336
THR A 339
GLU A 342
LEU A 297
 None
 0.76A 3gwxB-1vb3A:
undetectable		 3gwxB-1vb3A:
21.21
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.
1wr8 PHOSPHOGLYCOLATE
PHOSPHATASE

(Pyrococcus
horikoshii) 		PF08282
(Hydrolase_3) 		5 THR A  13
THR A  15
LEU A  41
ILE A  57
HIS A 174
 None
 1.41A 3gwxB-1wr8A:
undetectable		 3gwxB-1wr8A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yfz HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Caldanaerobacter
subterraneus) 		PF00156
(Pribosyltran) 		5 LEU A 131
ILE A 130
LYS A 133
LEU A 175
TYR A 180
 None
None
IMP  A1210 (-3.0A)
None
None
 1.45A 3gwxB-1yfzA:
undetectable		 3gwxB-1yfzA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zsq MYOTUBULARIN-RELATED
PROTEIN 2

(Homo sapiens) 		PF02893
(GRAM)
PF06602
(Myotub-related) 		5 CYH A 284
THR A 282
LEU A 303
ILE A 316
LEU A 244
 None
 1.42A 3gwxB-1zsqA:
undetectable		 3gwxB-1zsqA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis) 		PF01182
(Glucosamine_iso) 		5 THR A  20
THR A  23
GLU A  26
LEU A  47
TYR A  44
 None
 1.20A 3gwxB-2bkxA:
undetectable		 3gwxB-2bkxA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ej0 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF01063
(Aminotran_4) 		5 THR A 220
THR A 254
LEU A 283
ILE A 207
TYR A  42
 PMP  A3413 (-3.5A)
None
None
None
None
 1.39A 3gwxB-2ej0A:
undetectable		 3gwxB-2ej0A:
23.96
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.
2h1i CARBOXYLESTERASE

(Bacillus cereus) 		PF02230
(Abhydrolase_2) 		5 THR A  76
HIS A 115
LEU A 120
ILE A  97
LEU A  72
 None
 1.41A 3gwxB-2h1iA:
undetectable		 3gwxB-2h1iA:
21.53
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.
2hrb CARBONYL REDUCTASE
[NADPH] 3

(Homo sapiens) 		PF00106
(adh_short) 		5 THR A  36
THR A  11
LEU A 125
ILE A  70
LEU A  25
 None
 1.39A 3gwxB-2hrbA:
undetectable		 3gwxB-2hrbA:
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.
2i14 NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Pyrococcus
furiosus) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 THR A  17
THR A  18
THR A 103
LEU A  65
LEU A  23
 None
 1.43A 3gwxB-2i14A:
undetectable		 3gwxB-2i14A:
20.67
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.
2i7x PROTEIN CFT2

(Saccharomyces
cerevisiae) 		PF16661
(Lactamase_B_6) 		5 CYH A 166
THR A 212
LEU A 676
ILE A 193
TYR A   3
 None
 1.26A 3gwxB-2i7xA:
undetectable		 3gwxB-2i7xA:
17.23
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.
2iae SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
56 KDA REGULATORY
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF01603
(B56) 		5 THR B 282
GLU B 319
LEU B 247
HIS B 255
LEU B 308
 None
 1.46A 3gwxB-2iaeB:
undetectable		 3gwxB-2iaeB:
22.07
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.
2oi6 BIFUNCTIONAL PROTEIN
GLMU

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 THR A 170
THR A 130
GLU A 167
LEU A 173
ILE A 202
 None
 1.21A 3gwxB-2oi6A:
undetectable		 3gwxB-2oi6A:
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.
2own PUTATIVE
OLEOYL-[ACYL-CARRIER
PROTEIN]
THIOESTERASE

(Lactobacillus
plantarum) 		PF01643
(Acyl-ACP_TE) 		5 CYH A  22
THR A  29
THR A  32
THR A  31
HIS A  15
 None
 1.47A 3gwxB-2ownA:
undetectable		 3gwxB-2ownA:
22.18
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) 		9 CYH A 276
THR A 279
THR A 283
GLU A 286
LEU A 321
LYS A 358
HIS A 440
LEU A 460
TYR A 464
 735  A 469 (-2.9A)
735  A 469 (-3.6A)
None
None
735  A 469 ( 4.3A)
None
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 0.64A 3gwxB-2p54A:
38.0		 3gwxB-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 THR A 279
ILE A 339
LYS A 358
HIS A 440
LEU A 460
TYR A 464
 735  A 469 (-3.6A)
735  A 469 ( 4.1A)
None
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 1.49A 3gwxB-2p54A:
38.0		 3gwxB-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.
2vg8 HYDROQUINONE
GLUCOSYLTRANSFERASE

(Arabidopsis
thaliana) 		PF00201
(UDPGT) 		5 THR A 141
LEU A 396
ILE A 400
HIS A 364
TYR A 386
 None
None
None
UDP  A1477 (-3.9A)
None
 1.37A 3gwxB-2vg8A:
undetectable		 3gwxB-2vg8A:
22.01
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.
2xwb COMPLEMENT C3B
ALPHA' CHAIN
COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA)
PF00207
(A2M)
PF01759
(NTR)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		5 THR B 956
THR B1302
GLU F 159
LEU B1276
ILE B1285
 None
 1.47A 3gwxB-2xwbB:
undetectable		 3gwxB-2xwbB:
15.45
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.
2y3a PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT BETA

(Mus musculus) 		PF00017
(SH2)
PF16454
(PI3K_P85_iSH2) 		5 THR B 667
THR B 669
HIS B 698
LEU B 686
TYR B 690
 None
 1.32A 3gwxB-2y3aB:
undetectable		 3gwxB-2y3aB:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y7r LYSR-TYPE REGULATORY
PROTEIN

(Burkholderia
sp. DNT) 		PF03466
(LysR_substrate) 		5 CYH A 173
THR A 244
ILE A 218
HIS A 179
LEU A 236
 None
 1.22A 3gwxB-2y7rA:
undetectable		 3gwxB-2y7rA:
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.
2za8 FERRITIN LIGHT CHAIN

(Equus caballus) 		PF00210
(Ferritin) 		5 THR A  93
GLU A 164
LEU A 149
LEU A  34
TYR A  31
 None
 1.47A 3gwxB-2za8A:
undetectable		 3gwxB-2za8A:
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.
3aex THREONINE SYNTHASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 THR A 317
THR A 315
HIS A 182
ILE A 241
TYR A 199
 AN7  A1001 (-2.8A)
None
None
AN7  A1001 (-4.7A)
None
 1.47A 3gwxB-3aexA:
undetectable		 3gwxB-3aexA:
22.44
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) 		8 CYH A 285
GLU A 295
HIS A 323
LEU A 330
LYS A 367
HIS A 449
LEU A 469
TYR A 473
 MC5  A   1 (-3.6A)
None
MC5  A   1 (-3.8A)
MC5  A   1 (-4.4A)
None
MC5  A   1 (-3.9A)
MC5  A   1 (-4.1A)
MC5  A   1 (-4.9A)
 0.78A 3gwxB-3b0qA:
36.6		 3gwxB-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) 		6 GLU A 291
HIS A 323
LEU A 330
LYS A 367
HIS A 449
TYR A 473
 None
MC5  A   1 (-3.8A)
MC5  A   1 (-4.4A)
None
MC5  A   1 (-3.9A)
MC5  A   1 (-4.9A)
 1.26A 3gwxB-3b0qA:
36.6		 3gwxB-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.
3cux MALATE SYNTHASE

(Bacillus
anthracis) 		PF01274
(Malate_synthase) 		5 THR A 506
THR A 505
LEU A 429
ILE A 528
LEU A 484
 None
 1.25A 3gwxB-3cuxA:
undetectable		 3gwxB-3cuxA:
20.38
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
GLU A 295
HIS A 323
LEU A 330
ILE A 333
LYS A 367
HIS A 449
LEU A 469
TYR A 473
 L41  A 501 (-3.5A)
L41  A 501 (-3.0A)
L41  A 501 (-3.5A)
None
None
L41  A 501 (-3.8A)
L41  A 501 (-4.9A)
None
None
L41  A 501 (-3.9A)
L41  A 501 (-3.8A)
L41  A 501 (-4.8A)
 0.46A 3gwxB-3d5fA:
38.2		 3gwxB-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 GLU A 291
HIS A 323
LEU A 330
LYS A 367
HIS A 449
TYR A 473
 None
L41  A 501 (-3.8A)
L41  A 501 (-4.9A)
None
L41  A 501 (-3.9A)
L41  A 501 (-4.8A)
 1.16A 3gwxB-3d5fA:
38.2		 3gwxB-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.
3dg7 MUCONATE
CYCLOISOMERASE

(Mycolicibacterium
smegmatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 CYH A 303
THR A 304
THR A 301
GLU A 320
LEU A 336
 None
None
None
MUC  A1001 ( 4.7A)
None
 1.18A 3gwxB-3dg7A:
undetectable		 3gwxB-3dg7A:
22.31
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 GLU D 295
LEU D 330
HIS D 449
LEU D 469
TYR D 473
 None
PLB  D 701 ( 4.1A)
None
None
None
 1.03A 3gwxB-3dzuD:
34.4		 3gwxB-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.
3e73 LANC-LIKE PROTEIN 1

(Homo sapiens) 		PF05147
(LANC_like) 		5 GLU A 172
LEU A 137
ILE A 134
LEU A 399
TYR A 227
 None
 1.45A 3gwxB-3e73A:
undetectable		 3gwxB-3e73A:
21.17
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.
3faw RETICULOCYTE BINDING
PROTEIN

(Streptococcus
agalactiae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 THR A 519
THR A 520
THR A 504
GLU A 551
LEU A 534
 None
 1.20A 3gwxB-3fawA:
undetectable		 3gwxB-3fawA:
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.
3fww BIFUNCTIONAL PROTEIN
GLMU

(Yersinia pestis) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 THR A 170
THR A 130
GLU A 167
LEU A 173
ILE A 202
 None
 1.23A 3gwxB-3fwwA:
undetectable		 3gwxB-3fwwA:
20.43
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.
3h7n NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		PF11715
(Nup160) 		5 THR A 519
GLU A 563
LEU A 570
ILE A 569
LEU A 525
 None
 1.45A 3gwxB-3h7nA:
undetectable		 3gwxB-3h7nA:
16.26
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.
3hym ANAPHASE-PROMOTING
COMPLEX SUBUNIT
CDC26
CELL DIVISION CYCLE
PROTEIN 16 HOMOLOG

(Homo sapiens) 		PF10471
(ANAPC_CDC26)
PF13424
(TPR_12) 		5 THR A   7
GLU A  10
LEU B 447
LEU B 376
TYR B 373
 None
 1.46A 3gwxB-3hymA:
undetectable		 3gwxB-3hymA:
8.02
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.
3iac GLUCURONATE
ISOMERASE

(Salmonella
enterica) 		PF02614
(UxaC) 		5 THR A 278
HIS A 240
LEU A 245
LEU A 285
TYR A 289
 None
 1.31A 3gwxB-3iacA:
undetectable		 3gwxB-3iacA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3isa PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Bordetella
parapertussis) 		PF00378
(ECH_1) 		5 THR A  22
THR A  20
GLU A  13
LEU A 105
LEU A  40
 None
 1.38A 3gwxB-3isaA:
undetectable		 3gwxB-3isaA:
22.64
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF10
PRE-MRNA-SPLICING
FACTOR SPP42

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV)
PF16004
(EFTUD2) 		5 THR A1191
GLU A1194
LEU B  71
LEU A1071
TYR A1067
 None
 1.42A 3gwxB-3jb9A:
undetectable		 3gwxB-3jb9A:
8.16
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF10
PRE-MRNA-SPLICING
FACTOR SPP42

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV)
PF16004
(EFTUD2) 		5 THR A1191
THR A1192
LEU B  71
LEU A1071
TYR A1067
 None
 1.40A 3gwxB-3jb9A:
undetectable		 3gwxB-3jb9A:
8.16
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.
3lk7 UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Streptococcus
agalactiae) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 THR A 125
THR A 128
LEU A 304
ILE A 272
LEU A 143
 None
 1.24A 3gwxB-3lk7A:
undetectable		 3gwxB-3lk7A:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 THR A  17
GLU A  15
LEU B1111
ILE B1013
HIS B1102
 None
 1.45A 3gwxB-3myrA:
undetectable		 3gwxB-3myrA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vkw REPLICASE LARGE
SUBUNIT

(Tobacco mosaic
virus) 		PF01443
(Viral_helicase1) 		5 THR A1038
GLU A1041
ILE A 940
LEU A1052
TYR A1083
 SO4  A1204 (-3.3A)
SO4  A1204 (-4.3A)
SO4  A1206 ( 4.5A)
None
None
 1.44A 3gwxB-3vkwA:
undetectable		 3gwxB-3vkwA:
23.23
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.
3x0f CD81 ANTIGEN

(Mus musculus) 		no annotation 5 THR A 167
THR A 168
HIS A 151
LEU A 131
TYR A 127
 IPA  A 303 ( 4.1A)
None
None
IPA  A 303 ( 3.7A)
None
 1.45A 3gwxB-3x0fA:
undetectable		 3gwxB-3x0fA:
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.
4ako SPORE COAT PROTEIN A

(Bacillus
subtilis) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 THR A 111
HIS A 424
LEU A 150
ILE A 174
HIS A 422
 None
CU  A 603 (-3.2A)
None
None
CU  A 604 ( 3.1A)
 1.35A 3gwxB-4akoA:
undetectable		 3gwxB-4akoA:
19.53
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.
4bax GLUTAMINE SYNTHETASE

(Streptomyces
coelicolor) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 CYH A 340
THR A 341
THR A 338
HIS A 268
LEU A 259
 None
 1.37A 3gwxB-4baxA:
undetectable		 3gwxB-4baxA:
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.
4byf UNCONVENTIONAL
MYOSIN-IC

(Homo sapiens) 		PF00063
(Myosin_head)
PF00612
(IQ) 		5 CYH A 540
THR A 538
THR A 313
GLU A 310
LEU A 346
 None
 1.25A 3gwxB-4byfA:
undetectable		 3gwxB-4byfA:
17.96
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.
4c3o HYDROGENASE-1 LARGE
SUBUNIT
HYDROGENASE-1 SMALL
SUBUNIT

(Salmonella
enterica) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 THR B  18
GLU B  16
LEU A 126
ILE A  27
HIS A 117
 None
 1.46A 3gwxB-4c3oB:
undetectable		 3gwxB-4c3oB:
21.59
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.
4c3o HYDROGENASE-1 LARGE
SUBUNIT
HYDROGENASE-1 SMALL
SUBUNIT

(Salmonella
enterica) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 THR B  47
THR B  18
GLU B  76
ILE B  25
LEU A 580
 None
None
F4S  B1003 ( 4.8A)
None
None
 1.45A 3gwxB-4c3oB:
undetectable		 3gwxB-4c3oB:
21.59
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.
4d0o A-KINASE ANCHOR
PROTEIN 13

(Homo sapiens) 		PF00621
(RhoGEF) 		5 HIS A2053
LEU A2006
ILE A2003
LEU A2097
TYR A2101
 None
 1.47A 3gwxB-4d0oA:
undetectable		 3gwxB-4d0oA:
20.82
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.
4d1e ALPHA-ACTININ-2

(Homo sapiens) 		PF00307
(CH)
PF00435
(Spectrin)
PF08726
(EFhand_Ca_insen) 		5 THR A 495
THR A 497
GLU A 502
LEU A 425
LEU A 451
 None
 1.45A 3gwxB-4d1eA:
undetectable		 3gwxB-4d1eA:
15.29
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.
4dkn AMPHIOXUS GREEN
FLUORESCENT PROTEIN,
GFPA1

(Branchiostoma
floridae) 		PF01353
(GFP) 		5 THR A 207
THR A  37
HIS A   7
LEU A  35
TYR A  64
 None
 1.35A 3gwxB-4dknA:
undetectable		 3gwxB-4dknA:
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.
4e84 D-BETA-D-HEPTOSE
7-PHOSPHATE KINASE

(Burkholderia
cenocepacia) 		PF00294
(PfkB) 		5 THR A 238
GLU A 205
LEU A 198
ILE A 273
LEU A 219
 ANP  A 501 (-3.8A)
MG  A 506 ( 4.0A)
None
None
None
 1.12A 3gwxB-4e84A:
undetectable		 3gwxB-4e84A:
20.86
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.
4g4s PROTEASOME CHAPERONE
1

(Saccharomyces
cerevisiae) 		PF10450
(POC1) 		5 THR O  53
THR O  54
GLU O 137
ILE O 193
LEU O 132
 None
 1.22A 3gwxB-4g4sO:
undetectable		 3gwxB-4g4sO:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ihq FLAI ATPASE

(Sulfolobus
acidocaldarius) 		PF00437
(T2SSE) 		5 LEU A  24
ILE A  23
HIS A  43
LEU A   8
TYR A   7
 None
 1.40A 3gwxB-4ihqA:
undetectable		 3gwxB-4ihqA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jde PROTEIN F15E11.13

(Caenorhabditis
elegans) 		no annotation 5 THR A 125
THR A 126
THR A 127
HIS A 115
LEU A 117
 None
 1.48A 3gwxB-4jdeA:
undetectable		 3gwxB-4jdeA:
19.70
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.
4n3z RAB5 GDP/GTP
EXCHANGE FACTOR

(Homo sapiens) 		PF02204
(VPS9) 		5 CYH A 360
THR A 357
GLU A 403
LEU A 288
LEU A 319
 None
 1.48A 3gwxB-4n3zA:
undetectable		 3gwxB-4n3zA:
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.
4pf1 PEPTIDASE
S15/COCE/NOND

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 THR A 168
HIS A 278
LEU A 306
ILE A 286
LEU A 119
 None
 1.29A 3gwxB-4pf1A:
undetectable		 3gwxB-4pf1A:
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.
4pzv 2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE/DI
HYDROPTEROATE
SYNTHASE

(Francisella
tularensis) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		5 CYH A 280
GLU A 326
HIS A 301
ILE A 342
LEU A 303
 None
EDO  A 507 (-3.8A)
None
None
None
 1.46A 3gwxB-4pzvA:
undetectable		 3gwxB-4pzvA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tps CHROMOSOMAL
REPLICATION
INITIATOR PROTEIN
DNAA

(Bacillus
subtilis) 		PF11638
(DnaA_N) 		5 THR B  31
THR B  44
HIS B  34
LEU B  41
ILE B  62
 None
 1.36A 3gwxB-4tpsB:
undetectable		 3gwxB-4tpsB:
15.91
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.
4tw0 SCAVENGER RECEPTOR
CLASS B MEMBER 2

(Homo sapiens) 		PF01130
(CD36) 		5 THR A 135
LEU A 167
ILE A 401
LEU A 176
TYR A 180
 None
 1.26A 3gwxB-4tw0A:
undetectable		 3gwxB-4tw0A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ug4 CHOLINE SULFATASE

(Sinorhizobium
meliloti) 		PF00884
(Sulfatase)
PF12411
(Choline_sulf_C) 		5 THR A 289
LEU A 276
ILE A 277
LEU A 346
TYR A  86
 None
 1.37A 3gwxB-4ug4A:
undetectable		 3gwxB-4ug4A:
19.27
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.
4za2 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE

(Pectobacterium
carotovorum) 		PF13561
(adh_short_C2) 		5 THR A  16
LEU A 115
ILE A  95
HIS A  72
LEU A  14
 None
 1.44A 3gwxB-4za2A:
undetectable		 3gwxB-4za2A:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 CYH A 981
THR A 982
THR A 983
GLU A1055
LEU A1012
 None
 1.44A 3gwxB-4zxiA:
undetectable		 3gwxB-4zxiA:
11.46
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.
5b4s CHITOSANASE

(Mitsuaria
chitosanitabida) 		PF13647
(Glyco_hydro_80) 		5 THR A  73
THR A  80
HIS A 169
LEU A 154
TYR A 165
 None
 1.43A 3gwxB-5b4sA:
undetectable		 3gwxB-5b4sA:
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.
5bnc HEME BINDING PROTEIN
MSMEG_6519

(Mycolicibacterium
smegmatis) 		PF10615
(DUF2470)
PF13883
(Pyrid_oxidase_2) 		5 GLU A 258
HIS A 195
LEU A 252
ILE A 246
HIS A 190
 None
NI  A 301 (-3.3A)
None
None
NI  A 301 (-3.2A)
 1.32A 3gwxB-5bncA:
undetectable		 3gwxB-5bncA:
23.75
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.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF10345
(Cohesin_load)
no annotation 		5 CYH A 229
GLU A 195
ILE B  43
HIS A 224
LEU A 246
 None
 1.28A 3gwxB-5c6gA:
undetectable		 3gwxB-5c6gA:
17.10
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.
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
 0.97A 3gwxB-5d9aA:
undetectable		 3gwxB-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.
5e3i HISTIDINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 THR A 276
THR A 275
THR A 274
GLU A 166
LEU A 320
 None
 1.36A 3gwxB-5e3iA:
undetectable		 3gwxB-5e3iA:
21.17
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.
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)
 1.33A 3gwxB-5ec3A:
undetectable		 3gwxB-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.
5flz TUBULIN GAMMA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 THR C 168
THR C 169
HIS C 140
ILE C   5
LEU C 194
 None
 1.07A 3gwxB-5flzC:
undetectable		 3gwxB-5flzC:
19.53
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.
5gw8 HYPOTHETICAL
SECRETORY LIPASE
(FAMILY 3)

(Malassezia
globosa) 		PF01764
(Lipase_3) 		5 THR A  53
LEU A 145
ILE A 176
LEU A  71
TYR A  62
 None
 1.36A 3gwxB-5gw8A:
undetectable		 3gwxB-5gw8A:
21.29
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.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		5 THR A2380
THR A2384
LEU A2299
ILE A2250
LEU A2392
 None
 1.21A 3gwxB-5h64A:
undetectable		 3gwxB-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.
5hcc COMPLEMENT C5

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF07677
(A2M_recep)
PF07678
(A2M_comp) 		5 LEU A1000
ILE A 999
HIS A1499
LEU A1078
TYR A1124
 None
 1.05A 3gwxB-5hccA:
undetectable		 3gwxB-5hccA:
14.70
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.
5j6o PUTATIVE POLYKETIDE
SYNTHASE

(Brevibacillus
brevis) 		PF14765
(PS-DH) 		5 GLU A2178
HIS A2095
LEU A2136
ILE A2200
HIS A1960
 None
 1.48A 3gwxB-5j6oA:
undetectable		 3gwxB-5j6oA:
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.
5jxr CHROMATIN-REMODELING
COMPLEX ATPASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		5 THR A 221
THR A 218
GLU A 253
ILE A 290
LEU A 197
 None
 1.48A 3gwxB-5jxrA:
undetectable		 3gwxB-5jxrA:
18.39
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.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		5 THR A 411
HIS A 121
ILE A 646
HIS A 456
LEU A 128
 PG4  A1205 (-4.4A)
None
RPQ  A1204 ( 4.3A)
None
None
 1.29A 3gwxB-5mqmA:
undetectable		 3gwxB-5mqmA:
12.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mue ALPHA-TOCOPHEROL
TRANSFER PROTEIN

(Homo sapiens) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		5 THR A 139
LEU A  87
ILE A 273
LEU A 115
TYR A 117
 None
 1.42A 3gwxB-5mueA:
undetectable		 3gwxB-5mueA:
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.
5n9j MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 10
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 14

(Schizosaccharomyces
pombe) 		PF08638
(Med14)
PF09748
(Med10) 		5 THR B  22
THR B  21
GLU B  19
LEU A  64
LEU B  51
 None
 1.39A 3gwxB-5n9jB:
undetectable		 3gwxB-5n9jB:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ndz LYSOZYME,PROTEINASE-
ACTIVATED RECEPTOR
2,SOLUBLE CYTOCHROME
B562,PROTEINASE-ACTI
VATED RECEPTOR 2

(Escherichia
coli;
Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
PF07361
(Cytochrom_B562) 		5 THR A 224
THR A 225
THR A 215
GLU A 145
TYR A 323
 None
 1.46A 3gwxB-5ndzA:
undetectable		 3gwxB-5ndzA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nfi MINOR FIMBRIUM
ANCHORING SUBUNIT
MFA2

(Porphyromonas
gingivalis) 		no annotation 5 THR B 240
THR B 241
THR B 182
GLU B 180
LEU B 136
 None
 1.47A 3gwxB-5nfiB:
undetectable		 3gwxB-5nfiB:
14.66
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.
5o98 ALCOHOL
DEHYDROGENASE 1

(Catharanthus
roseus) 		no annotation 5 THR A 147
THR A 146
THR A 143
ILE A 246
LEU A  66
 None
 1.37A 3gwxB-5o98A:
undetectable		 3gwxB-5o98A:
14.39
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.
5t8t S-ADENOSYLMETHIONINE
SYNTHASE

(Neisseria
gonorrhoeae) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 THR A 187
THR A 225
LEU A 216
ILE A 212
LEU A   5
 None
 1.45A 3gwxB-5t8tA:
undetectable		 3gwxB-5t8tA:
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.
5vyq UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF00551
(Formyl_trans_N) 		5 GLU A 152
ILE A 157
HIS A  63
LEU A 142
TYR A 139
 None
None
0FX  A 302 (-3.8A)
None
0FX  A 302 (-3.8A)
 1.40A 3gwxB-5vyqA:
undetectable		 3gwxB-5vyqA:
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.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE

(Mycolicibacterium
hassiacum) 		PF00561
(Abhydrolase_1) 		5 THR A 281
THR A 284
LEU A 103
ILE A  33
HIS A  58
 None
 1.37A 3gwxB-5w8oA:
undetectable		 3gwxB-5w8oA:
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.
5x6x MRNA CAPPING ENZYME
P5

(Rice dwarf
virus) 		no annotation 5 THR C 279
HIS C 463
LEU C 272
ILE C 357
TYR C 211
 None
 1.37A 3gwxB-5x6xC:
undetectable		 3gwxB-5x6xC:
15.13
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT

(Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 THR A1030
GLU A1035
LEU A 902
ILE A 920
LEU A 937
 None
 1.32A 3gwxB-5xogA:
undetectable		 3gwxB-5xogA:
10.17
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.
5zal ENDORIBONUCLEASE
DICER

(Homo sapiens) 		no annotation 5 CYH A  63
THR A 206
HIS A 178
LEU A 226
LYS A 222
 None
 1.07A 3gwxB-5zalA:
undetectable		 3gwxB-5zalA:
16.87
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.
6cay STEROL-BINDING
PROTEIN

(Saccharomyces
cerevisiae) 		no annotation 5 THR A 921
THR A 909
GLU A 890
LEU A 924
LEU A 912
 ERG  A1101 ( 4.5A)
None
None
None
ERG  A1101 ( 4.5A)
 1.47A 3gwxB-6cayA:
undetectable		 3gwxB-6cayA:
17.48
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.
6d4j PROTEIN PATCHED
HOMOLOG 1

(Homo sapiens) 		no annotation 5 THR A 425
THR A 424
THR A 423
LEU A 366
TYR A1013
 None
 1.43A 3gwxB-6d4jA:
undetectable		 3gwxB-6d4jA:
12.08
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 5 THR A2252
LEU A2303
HIS A2183
LEU A2201
TYR A2197
 None
 1.38A 3gwxB-6ez8A:
undetectable		 3gwxB-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.
6g72 NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
13
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
3

(Mus musculus) 		no annotation 5 THR H 297
HIS H 304
LEU H 151
ILE A  69
TYR Z  46
 None
 1.41A 3gwxB-6g72H:
undetectable		 3gwxB-6g72H:
14.62
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.
1b7f PROTEIN (SXL-LETHAL
PROTEIN)

(Drosophila
melanogaster) 		PF00076
(RRM_1) 		5 LEU A 272
VAL A 257
VAL A 215
LEU A 218
ILE A 222
 None
 0.88A 3gwxB-1b7fA:
undetectable		 3gwxB-1b7fA:
21.67
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.
1d4v TNF-RELATED
APOPTOSIS INDUCING
LIGAND

(Homo sapiens) 		PF00229
(TNF) 		5 PHE B 248
LEU B 167
VAL B 122
ILE B 256
MET B 223
 None
 1.02A 3gwxB-1d4vB:
undetectable		 3gwxB-1d4vB:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dg6 APO2L/TNF-RELATED
APOPOTIS INDUCING
LIGAND (TRAIL)

(Homo sapiens) 		PF00229
(TNF) 		5 PHE A 248
LEU A 167
VAL A 122
ILE A 256
MET A 223
 None
 0.96A 3gwxB-1dg6A:
undetectable		 3gwxB-1dg6A:
18.59
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.
1gzh TUMOR SUPPRESSOR
P53-BINDING PROTEIN
1

(Homo sapiens) 		no annotation 5 GLN B1949
LEU B1872
VAL B1919
VAL B1874
LEU B1892
 None
 1.05A 3gwxB-1gzhB:
0.0		 3gwxB-1gzhB:
23.00
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.
1lxy ARGININE DEIMINASE

(Mycoplasma
arginini) 		PF02274
(Amidinotransf) 		5 LEU A 156
ILE A 198
LEU A  78
VAL A  79
LEU A  24
 None
 1.11A 3gwxB-1lxyA:
0.0		 3gwxB-1lxyA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m1j FIBRINOGEN ALPHA
SUBUNIT
FIBRINOGEN BETA
CHAIN
FIBRINOGEN GAMMA
CHAIN

(Gallus gallus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 LEU A 211
ARG B 137
LEU A  95
LEU B 130
ILE C  67
 None
 1.07A 3gwxB-1m1jA:
undetectable		 3gwxB-1m1jA:
19.63
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.
1qas PHOSPHOLIPASE C
DELTA-1

(Rattus
norvegicus) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 GLN A 671
ILE A 675
VAL A 750
VAL A 733
LEU A 735
 None
 1.09A 3gwxB-1qasA:
0.0		 3gwxB-1qasA:
18.12
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.
1qax PROTEIN
(3-HYDROXY-3-METHYLG
LUTARYL-COENZYME A
REDUCTASE)

(Pseudomonas
mevalonii) 		PF00368
(HMG-CoA_red) 		5 LEU A  26
GLN A  69
VAL A  64
LEU A 345
ILE A 356
 None
 1.10A 3gwxB-1qaxA:
0.1		 3gwxB-1qaxA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qdn PROTEIN
(N-ETHYLMALEIMIDE
SENSITIVE FUSION
PROTEIN (NSF))

(Cricetulus
griseus) 		PF02359
(CDC48_N)
PF02933
(CDC48_2) 		5 LEU A  18
PHE A 101
ILE A 196
LEU A 147
ILE A  99
 None
 1.11A 3gwxB-1qdnA:
undetectable		 3gwxB-1qdnA:
21.28
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.
1qlc POSTSYNAPTIC DENSITY
PROTEIN 95

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 ILE A 194
LEU A 241
VAL A 239
LEU A 220
ILE A 189
 None
 1.07A 3gwxB-1qlcA:
undetectable		 3gwxB-1qlcA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 LEU A  23
ARG A  85
ILE A 360
VAL A  44
LEU A  94
 None
 1.05A 3gwxB-1xjeA:
undetectable		 3gwxB-1xjeA:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		5 GLN A 168
VAL A 126
VAL A 140
LEU A 144
ILE A 150
 None
 1.08A 3gwxB-1zapA:
undetectable		 3gwxB-1zapA:
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.
2adc POLYPYRIMIDINE
TRACT-BINDING
PROTEIN 1

(Homo sapiens) 		PF00076
(RRM_1)
PF13893
(RRM_5) 		5 LEU A 394
GLN A 352
VAL A 379
VAL A 341
LEU A 344
 None
 0.88A 3gwxB-2adcA:
undetectable		 3gwxB-2adcA:
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.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 LEU A 115
PHE A 121
GLN A 125
ILE A 185
LEU A 169
 NAP  A1901 (-4.7A)
None
None
None
None
 1.12A 3gwxB-2b4qA:
undetectable		 3gwxB-2b4qA:
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.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		5 ARG A 479
ILE A 449
VAL A 497
VAL A 542
ILE A 332
 None
 1.03A 3gwxB-2bf6A:
undetectable		 3gwxB-2bf6A:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dpw HYPOTHETICAL PROTEIN
TTHA0179

(Thermus
thermophilus) 		PF12804
(NTP_transf_3) 		5 LEU A  47
VAL A 105
VAL A 102
LEU A  97
ILE A  94
 None
 1.09A 3gwxB-2dpwA:
undetectable		 3gwxB-2dpwA:
26.74
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.
2epg HYPOTHETICAL PROTEIN
TTHA1785

(Thermus
thermophilus) 		PF01139
(RtcB) 		5 LEU A 176
ILE A  55
VAL A  92
LEU A 283
ILE A 274
 None
 1.13A 3gwxB-2epgA:
undetectable		 3gwxB-2epgA:
19.07
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.
2f17 THIAMIN
PYROPHOSPHOKINASE 1

(Mus musculus) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 LEU A 105
ILE A 241
LEU A 125
VAL A  22
LEU A  24
 None
None
None
None
AMP  A 301 (-3.8A)
 1.12A 3gwxB-2f17A:
undetectable		 3gwxB-2f17A:
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.
2f4o PEPTIDE N-GLYCANASE
XP-C REPAIR
COMPLEMENTING
COMPLEX 58 KDA
PROTEIN

(Mus musculus) 		PF01841
(Transglut_core)
PF09280
(XPC-binding) 		5 LEU B 313
LEU A 438
VAL A 439
LEU B 302
ILE B 292
 None
 1.11A 3gwxB-2f4oB:
undetectable		 3gwxB-2f4oB:
13.94
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.
2fuq HEPARINASE II
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		5 ILE A 208
MET A 207
VAL A 181
VAL A 177
MET A  41
 None
 0.94A 3gwxB-2fuqA:
undetectable		 3gwxB-2fuqA:
18.26
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.
2g85 CHORISMATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF01264
(Chorismate_synt) 		5 LEU A   2
LEU A 375
VAL A  26
VAL A  23
ILE A 382
 None
 1.12A 3gwxB-2g85A:
undetectable		 3gwxB-2g85A:
20.10
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.
2jx2 NEGATIVE ELONGATION
FACTOR E

(Homo sapiens) 		PF00076
(RRM_1) 		5 LEU A  53
GLN A  88
VAL A  44
LEU A  67
ILE A  64
 None
 1.12A 3gwxB-2jx2A:
undetectable		 3gwxB-2jx2A:
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.
2m9k RNA-BINDING PROTEIN
WITH MULTIPLE
SPLICING 2

(Homo sapiens) 		PF00076
(RRM_1) 		5 LEU A  88
VAL A  73
VAL A  35
LEU A  38
ILE A  42
 None
 0.78A 3gwxB-2m9kA:
undetectable		 3gwxB-2m9kA:
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.
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
 0.95A 3gwxB-2mqeA:
undetectable		 3gwxB-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.
2ntb PECTINESTERASE A

(Dickeya
dadantii) 		PF01095
(Pectinesterase) 		5 GLN A 125
ILE A  61
VAL A 159
LEU A 157
ILE A 129
 None
 1.14A 3gwxB-2ntbA:
undetectable		 3gwxB-2ntbA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2odp COMPLEMENT C2

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		5 GLN A 716
ILE A 710
LEU A 609
VAL A 593
LEU A 665
 None
 1.05A 3gwxB-2odpA:
undetectable		 3gwxB-2odpA:
19.65
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 LEU A 247
PHE A 273
GLN A 277
ILE A 317
MET A 320
VAL A 332
LEU A 344
 None
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)
 0.59A 3gwxB-2p54A:
38.0		 3gwxB-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.
2q3z TRANSGLUTAMINASE 2

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 GLN A 270
VAL A 228
VAL A 283
LEU A 261
ILE A 192
 None
 0.99A 3gwxB-2q3zA:
undetectable		 3gwxB-2q3zA:
16.13
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.
2v6g PROGESTERONE
5-BETA-REDUCTASE

(Digitalis
lanata) 		PF01370
(Epimerase) 		6 LEU A 127
ILE A  75
LEU A  95
VAL A  98
VAL A 130
LEU A  92
 None
 1.48A 3gwxB-2v6gA:
undetectable		 3gwxB-2v6gA:
20.27
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.
2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE

(Lactococcus
lactis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A 333
LEU A 279
VAL A 324
VAL A 216
ILE A 236
 ILE  A 333 ( 0.6A)
LEU  A 279 ( 0.6A)
VAL  A 324 ( 0.6A)
VAL  A 216 ( 0.6A)
ILE  A 236 ( 0.6A)
 1.08A 3gwxB-2vbfA:
undetectable		 3gwxB-2vbfA:
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.
2wbe BIPOLAR KINESIN
KRP-130

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		5 LEU C 147
GLN C 306
ILE C 284
LEU C 250
VAL C 248
 None
 1.09A 3gwxB-2wbeC:
undetectable		 3gwxB-2wbeC:
21.52
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.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ILE A 327
LEU A 476
VAL A 446
VAL A 472
ILE A 312
 None
 1.05A 3gwxB-2wtbA:
undetectable		 3gwxB-2wtbA:
16.90
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.
2wy4 SINGLE DOMAIN
HAEMOGLOBIN

(Campylobacter
jejuni) 		PF00042
(Globin) 		5 GLN A   5
ILE A 126
LEU A  16
LEU A 109
ILE A 105
 None
HEM  A 150 ( 4.8A)
None
None
None
 1.10A 3gwxB-2wy4A:
undetectable		 3gwxB-2wy4A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x30 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
coelicolor) 		PF00977
(His_biosynth) 		5 LEU A 181
ILE A 125
VAL A 193
VAL A 185
LEU A 152
 None
 1.07A 3gwxB-2x30A:
undetectable		 3gwxB-2x30A:
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.
2xwu IMPORTIN13

(Homo sapiens) 		PF03810
(IBN_N)
PF08389
(Xpo1) 		5 PHE B 897
LEU B 870
VAL B 869
LEU B 889
ILE B 930
 None
 1.06A 3gwxB-2xwuB:
undetectable		 3gwxB-2xwuB:
14.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 LEU A 335
GLN A 412
VAL A 373
LEU A 380
ILE A 401
 None
 1.07A 3gwxB-3ak5A:
undetectable		 3gwxB-3ak5A:
14.36
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 LEU A 255
PHE A 282
GLN A 286
ILE A 326
MET A 329
LEU A 353
 None
MC5  A   1 (-4.4A)
None
MC5  A   1 ( 4.9A)
None
MC5  A   1 (-4.7A)
 0.69A 3gwxB-3b0qA:
36.6		 3gwxB-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.
3b6v KINESIN-LIKE PROTEIN
KIF3C

(Homo sapiens) 		PF00225
(Kinesin) 		5 LEU A 146
GLN A 327
ILE A 304
LEU A 247
VAL A 245
 None
 1.05A 3gwxB-3b6vA:
undetectable		 3gwxB-3b6vA:
21.16
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 LEU A 255
PHE A 282
ARG A 284
GLN A 286
ILE A 326
MET A 329
LEU A 339
VAL A 341
VAL A 348
LEU A 353
ILE A 364
MET A 453
 None
L41  A 501 ( 4.9A)
None
None
None
None
L41  A 501 (-4.8A)
L41  A 501 ( 4.4A)
None
None
L41  A 501 ( 4.2A)
L41  A 501 ( 3.7A)
 0.71A 3gwxB-3d5fA:
38.2		 3gwxB-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 PHE A 360
LEU A 339
VAL A 341
VAL A 348
LEU A 353
ILE A 364
 None
L41  A 501 (-4.8A)
L41  A 501 ( 4.4A)
None
None
L41  A 501 ( 4.2A)
 1.25A 3gwxB-3d5fA:
38.2		 3gwxB-3d5fA:
99.63
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) 		6 LEU D 255
PHE D 282
GLN D 286
ILE D 326
MET D 329
LEU D 353
 None
None
None
PLB  D 701 ( 4.5A)
None
None
 0.72A 3gwxB-3dzuD:
34.4		 3gwxB-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.
3dzz PUTATIVE PYRIDOXAL
5'-PHOSPHATE-DEPENDE
NT C-S LYASE

(Lactobacillus
delbrueckii) 		PF00155
(Aminotran_1_2) 		5 LEU A 341
PHE A 362
VAL A 309
VAL A 385
LEU A 330
 None
 1.06A 3gwxB-3dzzA:
undetectable		 3gwxB-3dzzA:
21.86
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.
3e7o MITOGEN-ACTIVATED
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		5 ARG A 127
ILE A 321
LEU A 165
VAL A 159
LEU A 115
 None
 1.10A 3gwxB-3e7oA:
undetectable		 3gwxB-3e7oA:
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.
3eay SENTRIN-SPECIFIC
PROTEASE 7

(Homo sapiens) 		PF02902
(Peptidase_C48) 		5 LEU A 701
ILE A 737
LEU A 694
VAL A 713
VAL A 696
 None
 1.13A 3gwxB-3eayA:
undetectable		 3gwxB-3eayA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ein GLUTATHIONE
S-TRANSFERASE 1-1

(Drosophila
melanogaster) 		PF00043
(GST_C)
PF02798
(GST_N) 		6 ILE A 158
LEU A  27
VAL A  25
VAL A   2
LEU A  56
ILE A  69
 None
 1.24A 3gwxB-3einA:
undetectable		 3gwxB-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.
3f95 BETA-GLUCOSIDASE

(Pseudoalteromonas
sp. BB1) 		no annotation 5 ARG A 743
GLN A 733
LEU A 798
LEU A 707
ILE A 778
 None
 1.04A 3gwxB-3f95A:
undetectable		 3gwxB-3f95A:
24.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8b XYLULOSE KINASE

(Bifidobacterium
adolescentis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 LEU A 406
ILE A 485
LEU A 447
ILE A 427
MET A 283
 None
 1.12A 3gwxB-3i8bA:
undetectable		 3gwxB-3i8bA:
18.06
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		5 LEU W 657
VAL W 620
VAL W 655
LEU W 644
ILE W 445
 None
 1.10A 3gwxB-3iylW:
undetectable		 3gwxB-3iylW:
12.20
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.
3jav INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Rattus
norvegicus) 		PF00520
(Ion_trans)
PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08454
(RIH_assoc)
PF08709
(Ins145_P3_rec) 		5 PHE A 161
GLN A 122
ILE A  14
MET A 224
VAL A 114
 None
 1.11A 3gwxB-3javA:
undetectable		 3gwxB-3javA:
7.18
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.
3kt9 APRATAXIN

(Homo sapiens) 		PF00498
(FHA) 		5 LEU A  19
GLN A  44
VAL A  98
LEU A  81
ILE A  68
 None
 1.03A 3gwxB-3kt9A:
undetectable		 3gwxB-3kt9A:
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.
3lhk PUTATIVE DNA BINDING
PROTEIN MJ0014

(Methanocaldococcus
jannaschii) 		PF00239
(Resolvase) 		5 ILE A  97
LEU A 117
VAL A 121
LEU A 137
ILE A 131
 None
 1.11A 3gwxB-3lhkA:
undetectable		 3gwxB-3lhkA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3op7 AMINOTRANSFERASE
CLASS I AND II

(Streptococcus
suis) 		PF00155
(Aminotran_1_2) 		5 GLN A 365
ILE A 357
LEU A 347
VAL A 345
LEU A 333
 None
 1.09A 3gwxB-3op7A:
undetectable		 3gwxB-3op7A:
23.76
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.
3ow8 WD REPEAT-CONTAINING
PROTEIN 61

(Homo sapiens) 		PF00400
(WD40) 		5 PHE A   9
GLN A  11
VAL A 277
VAL A 256
ILE A   7
 None
 1.07A 3gwxB-3ow8A:
undetectable		 3gwxB-3ow8A:
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.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 5 LEU A 282
ARG A 299
VAL A 246
VAL A 263
LEU A 261
 None
 1.03A 3gwxB-3p4gA:
undetectable		 3gwxB-3p4gA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qe7 URACIL PERMEASE

(Escherichia
coli) 		PF00860
(Xan_ur_permease) 		5 LEU A  91
GLN A 327
LEU A  80
VAL A  79
LEU A  83
 None
 1.14A 3gwxB-3qe7A:
undetectable		 3gwxB-3qe7A:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qgk FUSION OF UREASE
BETA AND GAMMA
SUBUNITS

(Helicobacter
mustelae) 		PF00547
(Urease_gamma)
PF00699
(Urease_beta) 		5 ILE A 224
LEU A 129
VAL A 131
VAL A 184
LEU A 186
 None
 1.02A 3gwxB-3qgkA:
undetectable		 3gwxB-3qgkA:
22.27
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.
3qtp ENOLASE 1

(Entamoeba
histolytica) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 PHE A 358
ILE A 385
VAL A 344
VAL A 332
ILE A 351
 None
 1.14A 3gwxB-3qtpA:
undetectable		 3gwxB-3qtpA:
19.59
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.
3rit DIPEPTIDE EPIMERASE

(Methylococcus
capsulatus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 210
LEU A 159
VAL A 161
VAL A 187
LEU A 181
 None
 1.06A 3gwxB-3ritA:
undetectable		 3gwxB-3ritA:
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.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 LEU A 106
ILE A 152
VAL A 143
VAL A 112
ILE A 116
 None
 0.91A 3gwxB-3rreA:
undetectable		 3gwxB-3rreA:
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.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		6 LEU A 187
ILE A 310
LEU A 355
VAL A 361
VAL A 405
ILE A 215
 None
 1.34A 3gwxB-3sl1A:
undetectable		 3gwxB-3sl1A:
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.
3t1u PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Azotobacter
vinelandii) 		PF00160
(Pro_isomerase) 		5 GLN A  97
ILE A  68
VAL A  31
LEU A  13
ILE A  83
 None
 1.14A 3gwxB-3t1uA:
undetectable		 3gwxB-3t1uA:
19.10
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.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE

(Pantoea
ananatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 305
VAL A  24
VAL A   9
LEU A  60
ILE A  71
 None
 1.14A 3gwxB-3t6cA:
undetectable		 3gwxB-3t6cA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3trc PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Coxiella
burnetii) 		PF01590
(GAF) 		5 LEU A   7
ILE A  44
MET A  55
VAL A  27
ILE A 115
 None
 1.13A 3gwxB-3trcA:
undetectable		 3gwxB-3trcA:
25.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3txv PROBABLE TAGATOSE
6-PHOSPHATE KINASE

(Sinorhizobium
meliloti) 		PF08013
(Tagatose_6_P_K) 		5 LEU A 300
ILE A  50
LEU A 292
VAL A 415
MET A  66
 None
 1.03A 3gwxB-3txvA:
undetectable		 3gwxB-3txvA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE

(Pyrococcus
horikoshii) 		no annotation 5 LEU A 124
LEU A  81
VAL A  96
LEU A 129
ILE A 132
 None
 1.12A 3gwxB-3u4gA:
undetectable		 3gwxB-3u4gA:
22.48
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.
3uan HEPARAN SULFATE
GLUCOSAMINE
3-O-SULFOTRANSFERASE
1

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		6 GLN A  60
ILE A 137
VAL A 219
LEU A  74
ILE A  63
MET A 111
 None
 1.27A 3gwxB-3uanA:
undetectable		 3gwxB-3uanA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wyf GSP1P

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		5 GLN A 147
ILE A 151
LEU A  17
VAL A  16
ILE A  90
 None
 1.10A 3gwxB-3wyfA:
undetectable		 3gwxB-3wyfA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zto NUCLEOSIDE
DIPHOSPHATE KINASE

(Aquifex
aeolicus) 		PF00334
(NDK) 		5 ILE A  89
VAL A  10
VAL A  73
LEU A  37
ILE A  34
 None
 0.96A 3gwxB-3ztoA:
undetectable		 3gwxB-3ztoA:
19.33
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.
4cob KYNURENINE
FORMAMIDASE

(Pseudomonas
aeruginosa) 		PF04199
(Cyclase) 		5 ARG A 138
VAL A 140
VAL A 108
LEU A 110
ILE A 127
 None
 1.08A 3gwxB-4cobA:
undetectable		 3gwxB-4cobA:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ecd CHORISMATE SYNTHASE

(Bifidobacterium
longum) 		PF01264
(Chorismate_synt) 		5 GLN A 307
VAL A 225
VAL A 359
LEU A 363
ILE A 160
 None
 1.08A 3gwxB-4ecdA:
undetectable		 3gwxB-4ecdA:
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.
4flc ADENYLOSUCCINATE
LYASE

(Homo sapiens) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 ILE A 351
LEU A 186
VAL A 254
VAL A 189
LEU A 128
 None
 1.02A 3gwxB-4flcA:
undetectable		 3gwxB-4flcA:
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.
4gs5 ACYL-COA SYNTHETASE
(AMP-FORMING)/AMP-AC
ID LIGASE II-LIKE
PROTEIN

(Dyadobacter
fermentans) 		PF00501
(AMP-binding) 		5 LEU A 152
MET A   1
LEU A  79
VAL A 124
LEU A 147
 None
 1.12A 3gwxB-4gs5A:
undetectable		 3gwxB-4gs5A:
23.24
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.
4h0m C-PHYCOCYANIN ALPHA
CHAIN
C-PHYCOCYANIN BETA
CHAIN

(Synechococcus
elongatus) 		PF00502
(Phycobilisome) 		5 LEU B  30
ILE A  94
LEU B  19
VAL B   8
LEU A  38
 None
 1.00A 3gwxB-4h0mB:
undetectable		 3gwxB-4h0mB:
23.08
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.
4ihc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Dickeya
paradisiaca) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 305
VAL A  24
VAL A   9
LEU A  60
ILE A  71
 None
 1.14A 3gwxB-4ihcA:
undetectable		 3gwxB-4ihcA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4io6 AVGLUR1 LIGAND
BINDING DOMAIN

(Adineta vaga) 		PF00497
(SBP_bac_3) 		5 LEU A  60
PHE A  20
ILE A 225
VAL A  58
LEU A  42
 None
 1.07A 3gwxB-4io6A:
undetectable		 3gwxB-4io6A:
23.19
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.
4l9o SEC16,PROTEIN
TRANSPORT PROTEIN
SEC13

(Komagataella
pastoris;
Komagataella
phaffii) 		PF00400
(WD40) 		5 ARG A2034
ILE A1073
VAL A2057
LEU A2060
ILE A2044
 EDO  A2409 ( 4.0A)
None
None
None
None
 1.02A 3gwxB-4l9oA:
undetectable		 3gwxB-4l9oA:
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.
4m4d LIPOPOLYSACCHARIDE-B
INDING PROTEIN

(Mus musculus) 		PF01273
(LBP_BPI_CETP)
PF02886
(LBP_BPI_CETP_C) 		5 PHE A 469
ILE A 348
LEU A 391
VAL A 398
LEU A 472
 None
 1.10A 3gwxB-4m4dA:
undetectable		 3gwxB-4m4dA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u28 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sviceus) 		PF00977
(His_biosynth) 		5 LEU A 185
ILE A 129
VAL A 197
VAL A 189
LEU A 156
 None
 1.13A 3gwxB-4u28A:
undetectable		 3gwxB-4u28A:
23.59
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.
4ud8 FAD-BINDING AND BBE
DOMAIN-CONTAINING
PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A 108
LEU A 245
VAL A 213
VAL A 243
LEU A 135
 None
None
None
FAD  A 601 ( 4.2A)
FAD  A 601 (-4.7A)
 0.94A 3gwxB-4ud8A:
undetectable		 3gwxB-4ud8A:
19.22
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.
4uug AMINE TRANSAMINASE

(Aspergillus
fumigatus) 		PF01063
(Aminotran_4) 		5 LEU A 203
PHE A 174
GLN A 182
ILE A 117
MET A  85
 None
None
None
None
FMT  A 405 (-4.7A)
 1.01A 3gwxB-4uugA:
undetectable		 3gwxB-4uugA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v2d FIBRONECTIN LEUCINE
RICH TRANSMEMBRANE
PROTEIN 2

(Homo sapiens) 		PF01463
(LRRCT)
PF13855
(LRR_8) 		5 LEU A 291
GLN A 304
VAL A 350
VAL A 321
ILE A 328
 None
 1.13A 3gwxB-4v2dA:
undetectable		 3gwxB-4v2dA:
23.26
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.
4x2r 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Actinomyces
urogenitalis) 		PF00977
(His_biosynth) 		5 LEU A 179
ILE A 123
VAL A 191
VAL A 183
LEU A 150
 None
 1.01A 3gwxB-4x2rA:
undetectable		 3gwxB-4x2rA:
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.
4x9s PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sp. Mg1) 		PF00977
(His_biosynth) 		5 LEU A 183
ILE A 127
VAL A 195
VAL A 187
LEU A 154
 None
 1.12A 3gwxB-4x9sA:
undetectable		 3gwxB-4x9sA:
22.64
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.
4zxs VIRION EGRESS
PROTEIN UL31
VIRION EGRESS
PROTEIN UL34

(Human
alphaherpesvirus
1) 		PF02718
(Herpes_UL31)
PF04541
(Herpes_U34) 		5 PHE B 243
ILE A 119
LEU B 116
VAL B  92
ILE B 231
 None
None
None
None
NA  B 402 (-3.8A)
 1.12A 3gwxB-4zxsB:
undetectable		 3gwxB-4zxsB:
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.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF10345
(Cohesin_load)
no annotation 		5 LEU A 368
ILE A 277
LEU B  36
VAL A 391
LEU A 324
 None
 0.95A 3gwxB-5c6gA:
undetectable		 3gwxB-5c6gA:
17.10
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.
5cdi CHAPERONIN 60B1

(Chlamydomonas
reinhardtii) 		PF00118
(Cpn60_TCP1) 		5 ARG A 506
GLN A 126
ILE A 446
VAL A 505
VAL A 413
 None
 0.97A 3gwxB-5cdiA:
undetectable		 3gwxB-5cdiA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h9x BETA-1,3-GLUCANASE

(Paenibacillus
barengoltzii) 		PF16483
(Glyco_hydro_64) 		5 LEU A 407
ILE A 131
LEU A 198
VAL A 235
LEU A 415
 None
 1.09A 3gwxB-5h9xA:
undetectable		 3gwxB-5h9xA:
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.
5hnp ABC TRANSPORTER

(Raoultella
ornithinolytica) 		PF14524
(Wzt_C) 		5 ILE A 380
VAL A 276
LEU A 281
ILE A 304
MET A 416
 None
 1.14A 3gwxB-5hnpA:
undetectable		 3gwxB-5hnpA:
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.
5htk 6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
SPHOSPHATASE 2

(Homo sapiens) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		5 LEU A 213
ARG A 137
LEU A  40
VAL A  42
VAL A 151
 None
 1.10A 3gwxB-5htkA:
undetectable		 3gwxB-5htkA:
19.32
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.
5i2g DIOL DEHYDRATASE

(Roseburia
inulinivorans) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A 530
PHE A 271
GLN A 267
VAL A 182
ILE A 218
 None
 1.13A 3gwxB-5i2gA:
undetectable		 3gwxB-5i2gA:
16.11
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		5 LEU A 283
GLN A 360
VAL A 321
LEU A 328
ILE A 349
 None
 1.07A 3gwxB-5j44A:
undetectable		 3gwxB-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.
5ken EBOLA SURFACE
GLYCOPROTEIN, GP1
EBOLA SURFACE
GLYCOPROTEIN, GP2

(Zaire
ebolavirus) 		PF01611
(Filo_glycop)
no annotation 		5 LEU A  68
GLN B 551
VAL A  66
LEU A 184
ILE A  38
 None
 1.09A 3gwxB-5kenA:
undetectable		 3gwxB-5kenA:
22.68
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.
5kui CALCIUM UNIPORTER
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 GLN A 114
ILE A 122
VAL A  75
VAL A 160
ILE A 127
 None
 1.05A 3gwxB-5kuiA:
undetectable		 3gwxB-5kuiA:
23.63
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.
5liq NICKING ENDONUCLEASE
N.BSPD6I

(Bacillus sp.
(in: Bacteria)) 		PF09491
(RE_AlwI) 		5 ILE A 535
LEU A 545
VAL A 548
LEU A 559
ILE A 564
 None
 1.00A 3gwxB-5liqA:
undetectable		 3gwxB-5liqA:
19.02
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		5 LEU A  19
PHE A 294
ILE A 361
LEU A 423
VAL A 401
 None
 1.14A 3gwxB-5mswA:
undetectable		 3gwxB-5mswA:
12.64
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.
5mzo UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN

(Chaetomium
thermophilum) 		PF06427
(UDP-g_GGTase) 		6 LEU A 431
GLN A 580
ILE A 511
VAL A 472
VAL A 483
LEU A 533
 None
 1.29A 3gwxB-5mzoA:
undetectable		 3gwxB-5mzoA:
11.89
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.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 5 ARG A 545
GLN A 542
VAL A 532
LEU A 298
ILE A 303
 None
 1.10A 3gwxB-5nitA:
undetectable		 3gwxB-5nitA:
18.04
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.
5o6k POLYPHOSPHATE:AMP
PHOSPHOTRANSFERASE

(Meiothermus
ruber) 		no annotation 5 LEU A 168
PHE A 120
LEU A 243
VAL A  77
VAL A 239
 None
 0.90A 3gwxB-5o6kA:
undetectable		 3gwxB-5o6kA:
15.26
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.
5tse LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Acinetobacter
baumannii) 		no annotation 5 GLN A 153
VAL A 102
VAL A  79
LEU A  77
ILE A 159
 None
 0.97A 3gwxB-5tseA:
undetectable		 3gwxB-5tseA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3gwxB-5vi6A:
undetectable		 3gwxB-5vi6A:
21.72