SIMILAR PATTERNS OF AMINO ACIDS FOR 1WRK_A_TFPA204

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.
1ete FLT3 LIGAND

(Homo sapiens) 		PF02947
(Flt3_lig) 		5 PHE A 124
PHE A  81
LEU A 112
PHE A   6
LEU A  50
 None
 1.24A 1wrkA-1eteA:
undetectable
1wrkB-1eteA:
undetectable		 1wrkA-1eteA:
20.00
1wrkB-1eteA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g38 MODIFICATION
METHYLASE TAQI

(Thermus
aquaticus) 		PF07669
(Eco57I)
PF12950
(TaqI_C) 		5 VAL A 333
LEU A 331
MET A 380
SER A 377
LEU A 260
 None
 1.18A 1wrkA-1g38A:
0.0
1wrkB-1g38A:
0.0		 1wrkA-1g38A:
14.05
1wrkB-1g38A:
14.05
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.
1h76 SEROTRANSFERRIN

(Sus scrofa) 		PF00405
(Transferrin) 		5 PHE A 640
LEU A 611
PHE A 631
MET A 630
LEU A 412
 None
 1.29A 1wrkA-1h76A:
undetectable
1wrkB-1h76A:
undetectable		 1wrkA-1h76A:
9.22
1wrkB-1h76A:
9.22
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.
1j8m SIGNAL RECOGNITION
54 KDA PROTEIN

(Acidianus
ambivalens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 PHE F  28
VAL F  76
LEU F  80
PHE F 289
LEU F  32
 None
 1.22A 1wrkA-1j8mF:
0.0
1wrkB-1j8mF:
undetectable		 1wrkA-1j8mF:
17.17
1wrkB-1j8mF:
17.17
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.
1jne IMAGINAL DISC GROWTH
FACTOR-2

(Drosophila
melanogaster) 		PF00704
(Glyco_hydro_18) 		5 PHE A 173
VAL A 177
LEU A 191
PHE A 205
LEU A 129
 None
 1.21A 1wrkA-1jneA:
undetectable
1wrkB-1jneA:
undetectable		 1wrkA-1jneA:
11.25
1wrkB-1jneA:
11.25
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.
1jnf SEROTRANSFERRIN

(Oryctolagus
cuniculus) 		PF00405
(Transferrin) 		5 PHE A 628
LEU A 599
PHE A 619
MET A 618
LEU A 408
 None
 1.33A 1wrkA-1jnfA:
undetectable
1wrkB-1jnfA:
0.0		 1wrkA-1jnfA:
10.96
1wrkB-1jnfA:
10.96
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.
1lwh 4-ALPHA-GLUCANOTRANS
FERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09178
(DUF1945) 		5 PHE A  79
VAL A  40
LEU A  42
PHE A  46
LEU A  25
 None
 1.28A 1wrkA-1lwhA:
undetectable
1wrkB-1lwhA:
undetectable		 1wrkA-1lwhA:
12.39
1wrkB-1lwhA:
12.39
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.
1mnn NDT80 PROTEIN

(Saccharomyces
cerevisiae) 		PF05224
(NDT80_PhoG) 		5 VAL A  78
LEU A 137
PHE A 130
SER A 240
LEU A 313
 None
 1.20A 1wrkA-1mnnA:
undetectable
1wrkB-1mnnA:
undetectable		 1wrkA-1mnnA:
14.12
1wrkB-1mnnA:
14.12
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.
1nlu SEDOLISIN

(Pseudomonas sp.) 		no annotation 5 PHE A 118
LEU A 134
PHE A 154
SER A 194
LEU A 114
 None
 1.23A 1wrkA-1nluA:
undetectable
1wrkB-1nluA:
undetectable		 1wrkA-1nluA:
11.76
1wrkB-1nluA:
11.76
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.
1nlu SEDOLISIN

(Pseudomonas sp.) 		no annotation 5 PHE A 118
VAL A 132
LEU A 134
PHE A 154
LEU A 114
 None
 1.30A 1wrkA-1nluA:
undetectable
1wrkB-1nluA:
undetectable		 1wrkA-1nluA:
11.76
1wrkB-1nluA:
11.76
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.
1pbu ELONGATION FACTOR
1-GAMMA

(Homo sapiens) 		PF00647
(EF1G) 		5 PHE A 357
PHE A 310
PHE A 293
PHE A 423
LEU A 321
 None
 1.31A 1wrkA-1pbuA:
0.0
1wrkB-1pbuA:
undetectable		 1wrkA-1pbuA:
16.36
1wrkB-1pbuA:
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.
1q15 CARA

(Pectobacterium
carotovorum) 		PF00733
(Asn_synthase)
PF09147
(DUF1933) 		5 PHE A 473
VAL A 477
PHE A 456
SER A 325
LEU A 496
 None
 1.11A 1wrkA-1q15A:
0.0
1wrkB-1q15A:
undetectable		 1wrkA-1q15A:
12.33
1wrkB-1q15A:
12.33
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.
1suv SEROTRANSFERRIN,
C-LOBE

(Homo sapiens) 		PF00405
(Transferrin) 		5 PHE E 628
LEU E 599
PHE E 619
MET E 618
LEU E 408
 None
 1.33A 1wrkA-1suvE:
0.0
1wrkB-1suvE:
undetectable		 1wrkA-1suvE:
18.15
1wrkB-1suvE:
18.15
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.
1zun SULFATE ADENYLATE
TRANSFERASE, SUBUNIT
1/ADENYLYLSULFATE
KINASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00009
(GTP_EFTU) 		5 PHE B 261
VAL B 270
LEU B 244
MET B 310
SER B 285
 None
 1.35A 1wrkA-1zunB:
undetectable
1wrkB-1zunB:
undetectable		 1wrkA-1zunB:
11.26
1wrkB-1zunB:
11.26
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.
1zyb TRANSCRIPTION
REGULATOR, CRP
FAMILY

(Bacteroides
thetaiotaomicron) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		5 PHE A  22
PHE A 125
VAL A 115
LEU A  52
LEU A  13
 None
 1.44A 1wrkA-1zybA:
undetectable
1wrkB-1zybA:
0.0		 1wrkA-1zybA:
17.17
1wrkB-1zybA:
17.17
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.
2bsi YOPT CHAPERONE SYCT

(Yersinia
enterocolitica) 		PF05932
(CesT) 		5 PHE A  30
VAL A  38
LEU A  50
PHE A  13
MET A   9
 None
 1.45A 1wrkA-2bsiA:
undetectable
1wrkB-2bsiA:
undetectable		 1wrkA-2bsiA:
22.52
1wrkB-2bsiA:
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.
2d7s RNA-DEPENDENT RNA
POLYMERASE

(Foot-and-mouth
disease virus) 		PF00680
(RdRP_1) 		5 PHE A 265
PHE A 199
PHE A 267
PHE A  74
LEU A  85
 None
 1.35A 1wrkA-2d7sA:
0.2
1wrkB-2d7sA:
undetectable		 1wrkA-2d7sA:
14.33
1wrkB-2d7sA:
14.33
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.
2dkh 3-HYDROXYBENZOATE
HYDROXYLASE

(Comamonas
testosteroni) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 VAL A 610
LEU A 501
PHE A 636
MET A 637
LEU A 629
 None
 1.26A 1wrkA-2dkhA:
undetectable
1wrkB-2dkhA:
undetectable		 1wrkA-2dkhA:
10.22
1wrkB-2dkhA:
10.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f2p CALMODULIN FUSED
WITH
CALMODULIN-BINDING
DOMAIN OF
CALCINEURIN

(Bos taurus) 		PF13499
(EF-hand_7) 		5 PHE A  19
VAL A  35
LEU A  39
PHE A  68
MET A  72
 None
 1.37A 1wrkA-2f2pA:
11.5
1wrkB-2f2pA:
11.5		 1wrkA-2f2pA:
61.80
1wrkB-2f2pA:
61.80
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.
2gti REPLICASE
POLYPROTEIN 1AB

(Murine
coronavirus) 		PF06471
(NSP11) 		5 PHE A 260
VAL A 264
LEU A 278
MET A 237
SER A 235
 None
None
None
None
SO4  A 506 (-4.5A)
 1.00A 1wrkA-2gtiA:
undetectable
1wrkB-2gtiA:
undetectable		 1wrkA-2gtiA:
13.76
1wrkB-2gtiA:
13.76
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.
2gti REPLICASE
POLYPROTEIN 1AB

(Murine
coronavirus) 		PF06471
(NSP11) 		5 PHE A 260
VAL A 264
PHE A 249
MET A 237
SER A 235
 None
None
None
None
SO4  A 506 (-4.5A)
 1.09A 1wrkA-2gtiA:
undetectable
1wrkB-2gtiA:
undetectable		 1wrkA-2gtiA:
13.76
1wrkB-2gtiA:
13.76
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.
2o14 HYPOTHETICAL PROTEIN
YXIM

(Bacillus
subtilis) 		PF13472
(Lipase_GDSL_2) 		5 PHE A 123
VAL A  91
LEU A 150
MET A 114
LEU A 134
 None
 1.16A 1wrkA-2o14A:
undetectable
1wrkB-2o14A:
undetectable		 1wrkA-2o14A:
12.00
1wrkB-2o14A:
12.00
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.
2o6l UDP-GLUCURONOSYLTRAN
SFERASE 2B7

(Homo sapiens) 		PF00201
(UDPGT) 		5 PHE A 339
PHE A 307
LEU A 425
MET A 316
LEU A 328
 None
 1.39A 1wrkA-2o6lA:
undetectable
1wrkB-2o6lA:
undetectable		 1wrkA-2o6lA:
22.36
1wrkB-2o6lA:
22.36
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.
2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06471
(NSP11) 		6 PHE A 232
VAL A 236
LEU A 250
PHE A 221
MET A 209
SER A 207
 None
 1.44A 1wrkA-2ozkA:
undetectable
1wrkB-2ozkA:
undetectable		 1wrkA-2ozkA:
14.88
1wrkB-2ozkA:
14.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p5r GLUTATHIONE
PEROXIDASE 5

(Populus
trichocarpa x
Populus
deltoides) 		PF00255
(GSHPx) 		5 PHE A 138
PHE A  71
VAL A  17
LEU A  27
LEU A  69
 None
 1.45A 1wrkA-2p5rA:
undetectable
1wrkB-2p5rA:
undetectable		 1wrkA-2p5rA:
18.02
1wrkB-2p5rA:
18.02
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.
2rbd BH2358 PROTEIN

(Bacillus
halodurans) 		PF11553
(DUF3231) 		5 PHE A 136
LEU A  69
PHE A 133
MET A 132
LEU A  25
 None
 1.36A 1wrkA-2rbdA:
undetectable
1wrkB-2rbdA:
undetectable		 1wrkA-2rbdA:
16.77
1wrkB-2rbdA:
16.77
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.
2v26 MYOSIN VI

(Sus scrofa) 		PF00063
(Myosin_head) 		5 PHE A 317
PHE A 192
VAL A 435
MET A 320
LEU A 337
 None
 1.40A 1wrkA-2v26A:
undetectable
1wrkB-2v26A:
1.0		 1wrkA-2v26A:
8.47
1wrkB-2v26A:
8.47
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.
2v26 MYOSIN VI

(Sus scrofa) 		PF00063
(Myosin_head) 		5 VAL A 435
LEU A 188
PHE A 616
PHE A 317
LEU A 329
 None
 1.36A 1wrkA-2v26A:
undetectable
1wrkB-2v26A:
1.0		 1wrkA-2v26A:
8.47
1wrkB-2v26A:
8.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w49 TROPONIN C, SKELETAL
MUSCLE

(Gallus gallus) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		6 PHE 0  21
PHE 0  28
VAL 0  44
LEU 0  48
PHE 0  77
MET 0  81
 None
 1.18A 1wrkA-2w490:
13.2
1wrkB-2w490:
13.0		 1wrkA-2w490:
64.77
1wrkB-2w490:
64.77
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.
2ws9 P1

(Equine rhinitis
A virus) 		PF00073
(Rhv)
no annotation 		5 PHE 3  43
VAL 1  30
LEU 1  34
PHE 1 192
LEU 1  71
 None
 1.16A 1wrkA-2ws93:
undetectable
1wrkB-2ws93:
undetectable		 1wrkA-2ws93:
17.86
1wrkB-2ws93:
17.86
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.
2xec PUTATIVE MALEATE
ISOMERASE

(Nocardia
farcinica) 		no annotation 5 VAL A 235
LEU A 242
PHE A  33
SER A 228
LEU A  24
 None
 1.31A 1wrkA-2xecA:
undetectable
1wrkB-2xecA:
undetectable		 1wrkA-2xecA:
12.69
1wrkB-2xecA:
12.69
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.
2xio PUTATIVE
DEOXYRIBONUCLEASE
TATDN1

(Homo sapiens) 		PF01026
(TatD_DNase) 		5 PHE A 157
VAL A 173
LEU A 191
PHE A 132
SER A 139
 None
 1.22A 1wrkA-2xioA:
undetectable
1wrkB-2xioA:
undetectable		 1wrkA-2xioA:
16.84
1wrkB-2xioA:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xsw 72 KDA INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 PHE A 413
PHE A 420
VAL A 335
PHE A 411
LEU A 301
 None
 1.09A 1wrkA-2xswA:
undetectable
1wrkB-2xswA:
undetectable		 1wrkA-2xswA:
16.67
1wrkB-2xswA:
16.67
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.
2xtl CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		5 PHE A 605
VAL A 479
LEU A 486
PHE A 461
LEU A 580
 None
 1.29A 1wrkA-2xtlA:
undetectable
1wrkB-2xtlA:
undetectable		 1wrkA-2xtlA:
11.53
1wrkB-2xtlA:
11.53
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.
2xtz GUANINE
NUCLEOTIDE-BINDING
PROTEIN ALPHA-1
SUBUNIT

(Arabidopsis
thaliana) 		PF00503
(G-alpha) 		5 PHE A 365
VAL A 368
LEU A 372
PHE A  62
LEU A  41
 None
 1.41A 1wrkA-2xtzA:
undetectable
1wrkB-2xtzA:
undetectable		 1wrkA-2xtzA:
13.57
1wrkB-2xtzA:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zau SELENIDE, WATER
DIKINASE

(Aquifex
aeolicus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 VAL A 220
LEU A 225
SER A 253
PHE A 244
LEU A 168
 None
 1.33A 1wrkA-2zauA:
undetectable
1wrkB-2zauA:
undetectable		 1wrkA-2zauA:
13.29
1wrkB-2zauA:
13.29
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.
3agb RED CHLOROPHYLL
CATABOLITE
REDUCTASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF06405
(RCC_reductase) 		5 PHE A  52
VAL A 308
SER A 137
PHE A 141
LEU A  86
 None
 1.36A 1wrkA-3agbA:
undetectable
1wrkB-3agbA:
undetectable		 1wrkA-3agbA:
18.83
1wrkB-3agbA:
18.83
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.
3aqc COMPONENT A OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		no annotation 5 PHE A  21
VAL A  74
LEU A  78
MET A  56
LEU A  11
 None
 1.26A 1wrkA-3aqcA:
undetectable
1wrkB-3aqcA:
undetectable		 1wrkA-3aqcA:
20.00
1wrkB-3aqcA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b2y METALLOPEPTIDASE
CONTAINING
CO-CATALYTIC
METALLOACTIVE SITE

(Shewanella
denitrificans) 		PF04952
(AstE_AspA) 		5 PHE A 232
PHE A  74
VAL A 108
LEU A 105
PHE A 130
 None
 1.44A 1wrkA-3b2yA:
undetectable
1wrkB-3b2yA:
undetectable		 1wrkA-3b2yA:
16.93
1wrkB-3b2yA:
16.93
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.
3doa FIBRINOGEN BINDING
PROTEIN

(Staphylococcus
aureus) 		PF05833
(FbpA) 		5 PHE A 198
VAL A 179
LEU A 221
MET A 229
LEU A 194
 None
 1.29A 1wrkA-3doaA:
3.0
1wrkB-3doaA:
2.9		 1wrkA-3doaA:
14.96
1wrkB-3doaA:
14.96
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.
3dwv GLUTATHIONE
PEROXIDASE-LIKE
PROTEIN

(Trypanosoma
brucei) 		PF00255
(GSHPx) 		5 PHE A  74
VAL A  20
LEU A  30
MET A 122
LEU A  72
 None
 1.08A 1wrkA-3dwvA:
undetectable
1wrkB-3dwvA:
undetectable		 1wrkA-3dwvA:
18.39
1wrkB-3dwvA:
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.
3e0u GLUTATHIONE
PEROXIDASE

(Trypanosoma
cruzi) 		PF00255
(GSHPx) 		5 PHE A  75
VAL A  21
LEU A  31
MET A 123
LEU A  73
 NH4  A   1 (-4.7A)
NH4  A   1 (-4.0A)
None
None
None
 1.05A 1wrkA-3e0uA:
undetectable
1wrkB-3e0uA:
undetectable		 1wrkA-3e0uA:
19.61
1wrkB-3e0uA:
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.
3e1t HALOGENASE

(Chondromyces
crocatus) 		PF04820
(Trp_halogenase) 		5 PHE A 312
PHE A  94
PHE A  92
SER A 212
LEU A  51
 None
 1.45A 1wrkA-3e1tA:
undetectable
1wrkB-3e1tA:
undetectable		 1wrkA-3e1tA:
9.80
1wrkB-3e1tA:
9.80
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.
3e73 LANC-LIKE PROTEIN 1

(Homo sapiens) 		PF05147
(LANC_like) 		5 PHE A 164
VAL A 119
PHE A 106
SER A  95
LEU A  73
 None
 1.30A 1wrkA-3e73A:
undetectable
1wrkB-3e73A:
undetectable		 1wrkA-3e73A:
11.41
1wrkB-3e73A:
11.41
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.
3f8x PUTATIVE
DELTA-5-3-KETOSTEROI
D ISOMERASE

(Pectobacterium
atrosepticum) 		PF12680
(SnoaL_2) 		5 VAL A 123
LEU A 121
PHE A  79
PHE A 112
LEU A  69
 None
 1.01A 1wrkA-3f8xA:
undetectable
1wrkB-3f8xA:
undetectable		 1wrkA-3f8xA:
25.37
1wrkB-3f8xA:
25.37
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.
3h0r ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Aquifex
aeolicus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		5 PHE B  78
LEU B 101
PHE B  24
MET B  23
LEU B 281
 None
 1.25A 1wrkA-3h0rB:
undetectable
1wrkB-3h0rB:
undetectable		 1wrkA-3h0rB:
9.83
1wrkB-3h0rB:
9.83
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.
3iht S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE

(Ruegeria
pomeroyi) 		PF12692
(Methyltransf_17) 		5 VAL A 109
LEU A  46
PHE A 150
MET A 148
LEU A  95
 None
 1.36A 1wrkA-3ihtA:
undetectable
1wrkB-3ihtA:
undetectable		 1wrkA-3ihtA:
16.76
1wrkB-3ihtA:
16.76
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.
3iir TRYPSIN INHIBITOR

(Murraya
koenigii) 		PF00197
(Kunitz_legume) 		5 PHE A  60
PHE A  79
VAL A  45
LEU A 164
LEU A  31
 None
 1.23A 1wrkA-3iirA:
undetectable
1wrkB-3iirA:
undetectable		 1wrkA-3iirA:
16.40
1wrkB-3iirA:
16.40
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.
3kxi GTP-BINDING PROTEIN
(HFLX)

(Sulfolobus
solfataricus) 		PF01926
(MMR_HSR1)
PF13167
(GTP-bdg_N)
PF16360
(GTP-bdg_M) 		5 PHE A 249
PHE A 236
VAL A 185
LEU A 261
LEU A 285
 None
 1.37A 1wrkA-3kxiA:
undetectable
1wrkB-3kxiA:
undetectable		 1wrkA-3kxiA:
14.50
1wrkB-3kxiA:
14.50
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.
3nhi D7 PROTEIN

(Anopheles
stephensi) 		PF01395
(PBP_GOBP) 		5 PHE A 259
PHE A 215
VAL A 227
LEU A 231
LEU A 246
 None
 1.38A 1wrkA-3nhiA:
2.8
1wrkB-3nhiA:
3.7		 1wrkA-3nhiA:
14.48
1wrkB-3nhiA:
14.48
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.
3pn9 PROLINE DIPEPTIDASE

(Streptococcus
pneumoniae) 		PF01321
(Creatinase_N) 		5 PHE A 116
VAL A  18
LEU A  47
PHE A  70
LEU A  89
 None
 1.13A 1wrkA-3pn9A:
undetectable
1wrkB-3pn9A:
undetectable		 1wrkA-3pn9A:
20.14
1wrkB-3pn9A:
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.
3s6h N-ACETYLGLUTAMATE
KINASE /
N-ACETYLGLUTAMATE
SYNTHASE

(Maricaulis
maris) 		PF00696
(AA_kinase)
PF04768
(NAT) 		5 PHE A  32
PHE A 279
LEU A 274
SER A 265
LEU A  64
 None
 1.36A 1wrkA-3s6hA:
undetectable
1wrkB-3s6hA:
undetectable		 1wrkA-3s6hA:
11.75
1wrkB-3s6hA:
11.75
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.
3sr2 DNA REPAIR PROTEIN
XRCC4

(Homo sapiens) 		PF06632
(XRCC4) 		5 PHE A  32
VAL A  22
LEU A  75
PHE A 111
LEU A  28
 None
 1.37A 1wrkA-3sr2A:
undetectable
1wrkB-3sr2A:
undetectable		 1wrkA-3sr2A:
19.71
1wrkB-3sr2A:
19.71
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.
3u0k RCAMP

(Entacmaea
quadricolor) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		5 PHE A 386
VAL A 402
LEU A 406
PHE A 435
LEU A 333
 None
 1.11A 1wrkA-3u0kA:
10.3
1wrkB-3u0kA:
10.1		 1wrkA-3u0kA:
16.53
1wrkB-3u0kA:
16.53
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.
3u0k RCAMP

(Entacmaea
quadricolor) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		5 VAL A 402
LEU A 406
PHE A 435
MET A 439
LEU A 333
 None
 0.66A 1wrkA-3u0kA:
10.3
1wrkB-3u0kA:
10.1		 1wrkA-3u0kA:
16.53
1wrkB-3u0kA:
16.53
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.
4ato TOXN

(Bacillus
thuringiensis) 		PF13958
(ToxN_toxin) 		5 PHE A   9
VAL A  40
LEU A  82
PHE A  63
LEU A 121
 None
None
None
U  G   4 ( 4.9A)
None
 1.31A 1wrkA-4atoA:
undetectable
1wrkB-4atoA:
undetectable		 1wrkA-4atoA:
15.46
1wrkB-4atoA:
15.46
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.
4bqh UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Trypanosoma
brucei) 		PF01704
(UDPGP) 		5 PHE A 403
VAL A 300
PHE A 317
PHE A 112
LEU A 399
 None
 1.07A 1wrkA-4bqhA:
undetectable
1wrkB-4bqhA:
undetectable		 1wrkA-4bqhA:
9.68
1wrkB-4bqhA:
9.68
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.
4ckk DNA GYRASE SUBUNIT A

(Escherichia
coli) 		PF00521
(DNA_topoisoIV) 		5 VAL A 268
LEU A 273
MET A 301
SER A 296
LEU A 326
 None
 1.32A 1wrkA-4ckkA:
0.0
1wrkB-4ckkA:
undetectable		 1wrkA-4ckkA:
10.29
1wrkB-4ckkA:
10.29
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.
4ejs ELONGATOR COMPLEX
PROTEIN 6

(Saccharomyces
cerevisiae) 		no annotation 5 PHE C 108
VAL C 158
LEU C 161
PHE C 112
LEU C 126
 None
 1.32A 1wrkA-4ejsC:
undetectable
1wrkB-4ejsC:
undetectable		 1wrkA-4ejsC:
15.13
1wrkB-4ejsC:
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.
4ejs ELONGATOR COMPLEX
PROTEIN 6

(Saccharomyces
cerevisiae) 		no annotation 5 VAL C 158
LEU C 161
PHE C 112
PHE C 207
LEU C 126
 None
 1.08A 1wrkA-4ejsC:
undetectable
1wrkB-4ejsC:
undetectable		 1wrkA-4ejsC:
15.13
1wrkB-4ejsC:
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.
4f8a POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY H
MEMBER 1

(Mus musculus) 		PF00027
(cNMP_binding) 		5 PHE A 620
VAL A 643
LEU A 697
PHE A 582
LEU A 618
 None
 1.05A 1wrkA-4f8aA:
undetectable
1wrkB-4f8aA:
undetectable		 1wrkA-4f8aA:
23.08
1wrkB-4f8aA:
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.
4iik ADENOSINE
MONOPHOSPHATE-PROTEI
N HYDROLASE SIDD

(Legionella
pneumophila) 		no annotation 5 PHE A 123
VAL A 128
LEU A 131
PHE A 169
LEU A 159
 None
None
None
None
CL  A 410 ( 4.5A)
 1.31A 1wrkA-4iikA:
undetectable
1wrkB-4iikA:
undetectable		 1wrkA-4iikA:
15.12
1wrkB-4iikA:
15.12
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.
4jb7 ACCESSORY
COLONIZATION FACTOR
ACFC

(Vibrio cholerae) 		PF13531
(SBP_bac_11) 		5 PHE A 220
VAL A 222
PHE A 102
SER A 242
LEU A  38
 None
 1.17A 1wrkA-4jb7A:
undetectable
1wrkB-4jb7A:
undetectable		 1wrkA-4jb7A:
15.51
1wrkB-4jb7A:
15.51
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.
4kop SINGLE-STRANDED
DNA-BINDING PROTEIN
WHY2, MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF08536
(Whirly) 		5 LEU A 115
PHE A 189
MET A 126
SER A 125
LEU A 152
 None
 1.36A 1wrkA-4kopA:
undetectable
1wrkB-4kopA:
undetectable		 1wrkA-4kopA:
21.47
1wrkB-4kopA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4myd 2-SUCCINYL-6-HYDROXY
-2,4-CYCLOHEXADIENE-
1-CARBOXYLATE
SYNTHASE

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		5 PHE A 200
PHE A  80
LEU A  68
PHE A  61
LEU A 100
 None
 1.26A 1wrkA-4mydA:
undetectable
1wrkB-4mydA:
undetectable		 1wrkA-4mydA:
16.44
1wrkB-4mydA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nj5 PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH9

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		5 PHE A 548
VAL A 603
LEU A 620
MET A 581
LEU A 634
 None
 1.39A 1wrkA-4nj5A:
undetectable
1wrkB-4nj5A:
undetectable		 1wrkA-4nj5A:
9.82
1wrkB-4nj5A:
9.82
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.
4pgh CAFFEIC ACID
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 PHE A 360
VAL A 294
LEU A 266
PHE A 346
LEU A 278
 None
 1.40A 1wrkA-4pghA:
undetectable
1wrkB-4pghA:
undetectable		 1wrkA-4pghA:
16.48
1wrkB-4pghA:
16.48
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.
4pj3 INTRON-BINDING
PROTEIN AQUARIUS

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12)
PF16399
(Aquarius_N) 		5 PHE A 253
PHE A 298
VAL A 289
PHE A 402
LEU A 302
 None
 1.37A 1wrkA-4pj3A:
undetectable
1wrkB-4pj3A:
undetectable		 1wrkA-4pj3A:
4.72
1wrkB-4pj3A:
4.72
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.
4qfb CT263

(Chlamydia
trachomatis) 		no annotation 5 PHE A  23
VAL A  42
LEU A   6
SER A 179
LEU A  40
 None
 1.44A 1wrkA-4qfbA:
undetectable
1wrkB-4qfbA:
undetectable		 1wrkA-4qfbA:
18.27
1wrkB-4qfbA:
18.27
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.
4s1t URIDYLATE-SPECIFIC
ENDORIBONUCLEASE

(Human
coronavirus
229E) 		PF06471
(NSP11) 		6 PHE A 233
VAL A 237
LEU A 251
PHE A 222
MET A 210
SER A 208
 None
 1.30A 1wrkA-4s1tA:
undetectable
1wrkB-4s1tA:
undetectable		 1wrkA-4s1tA:
14.45
1wrkB-4s1tA:
14.45
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.
4s1t URIDYLATE-SPECIFIC
ENDORIBONUCLEASE

(Human
coronavirus
229E) 		PF06471
(NSP11) 		5 PHE A 233
VAL A 237
PHE A 222
MET A 210
LEU A 308
 None
 1.23A 1wrkA-4s1tA:
undetectable
1wrkB-4s1tA:
undetectable		 1wrkA-4s1tA:
14.45
1wrkB-4s1tA:
14.45
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.
4wnx NETRIN-4

(Mus musculus) 		PF00053
(Laminin_EGF)
PF00055
(Laminin_N) 		5 VAL A 226
LEU A 144
PHE A 134
SER A 186
LEU A 130
 None
 1.37A 1wrkA-4wnxA:
undetectable
1wrkB-4wnxA:
undetectable		 1wrkA-4wnxA:
10.75
1wrkB-4wnxA:
10.75
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.
4wp6 MRNA EXPORT PROTEIN

(Chaetomium
thermophilum) 		PF14580
(LRR_9) 		5 VAL A 266
LEU A 289
PHE A 242
MET A 246
SER A 250
 None
 1.38A 1wrkA-4wp6A:
undetectable
1wrkB-4wp6A:
undetectable		 1wrkA-4wp6A:
19.53
1wrkB-4wp6A:
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.
4ygu PUTATIVE ADHESIN

(Bacteroides
eggerthii) 		PF10988
(DUF2807) 		5 PHE A 132
VAL A 130
LEU A 127
PHE A 119
LEU A 145
 None
 1.32A 1wrkA-4yguA:
undetectable
1wrkB-4yguA:
undetectable		 1wrkA-4yguA:
18.54
1wrkB-4yguA:
18.54
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.
4z7e LMO1422 PROTEIN

(Listeria
monocytogenes) 		PF04069
(OpuAC) 		5 PHE A 374
PHE A 392
VAL A 366
PHE A 370
LEU A 390
 None
 1.37A 1wrkA-4z7eA:
undetectable
1wrkB-4z7eA:
undetectable		 1wrkA-4z7eA:
14.48
1wrkB-4z7eA:
14.48
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.
4zpd RNA-DIRECTED RNA
POLYMERASE

(Enterovirus B) 		PF00680
(RdRP_1) 		5 PHE A 217
PHE A 379
VAL A 372
LEU A 229
PHE A 322
 None
 1.27A 1wrkA-4zpdA:
undetectable
1wrkB-4zpdA:
undetectable		 1wrkA-4zpdA:
13.48
1wrkB-4zpdA:
13.48
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.
5chx XRCC4-MYH7-1590-1657

(Homo sapiens) 		PF01576
(Myosin_tail_1)
PF06632
(XRCC4) 		5 PHE A  32
VAL A  22
LEU A  75
PHE A 111
LEU A  28
 None
MLY  A   4 ( 4.4A)
MLY  A   4 ( 4.2A)
None
None
 1.27A 1wrkA-5chxA:
undetectable
1wrkB-5chxA:
undetectable		 1wrkA-5chxA:
16.59
1wrkB-5chxA:
16.59
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.
5dlj CRISPR-ASSOCIATED
ENDONUCLEASE CAS1

(Escherichia
coli) 		no annotation 5 VAL D 271
LEU D 122
PHE D 215
PHE D 124
LEU D 267
 None
 1.44A 1wrkA-5dljD:
undetectable
1wrkB-5dljD:
undetectable		 1wrkA-5dljD:
14.17
1wrkB-5dljD:
14.17
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.
5dp2 CURF

(Lyngbya
majuscula) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 PHE A 135
PHE A 298
LEU A 173
PHE A 226
LEU A 294
 None
 1.37A 1wrkA-5dp2A:
undetectable
1wrkB-5dp2A:
undetectable		 1wrkA-5dp2A:
14.20
1wrkB-5dp2A:
14.20
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.
5g4q DNA POLYMERASE III
SUBUNIT BETA

(Helicobacter
pylori) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 PHE A 138
VAL A 170
LEU A 168
SER A 219
LEU A 134
 None
 1.44A 1wrkA-5g4qA:
undetectable
1wrkB-5g4qA:
undetectable		 1wrkA-5g4qA:
12.83
1wrkB-5g4qA:
12.83
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.
5gjv VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		PF00520
(Ion_trans)
PF08763
(Ca_chan_IQ)
PF16905
(GPHH) 		5 VAL A 610
LEU A 611
PHE A 597
PHE A 567
LEU A 644
 None
 1.36A 1wrkA-5gjvA:
undetectable
1wrkB-5gjvA:
undetectable		 1wrkA-5gjvA:
5.01
1wrkB-5gjvA:
5.01
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.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		5 PHE A 565
PHE A 553
VAL A 519
PHE A 564
LEU A 514
 None
 1.35A 1wrkA-5gkqA:
undetectable
1wrkB-5gkqA:
undetectable		 1wrkA-5gkqA:
8.31
1wrkB-5gkqA:
8.31
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.
5gp9 TRANSCRIPTIONAL
REGULATOR (TETR/ACRR
FAMILY)

(Bacillus
halodurans) 		PF00440
(TetR_N)
PF08359
(TetR_C_4) 		5 PHE A  92
VAL A 184
LEU A 188
PHE A 144
LEU A 161
 None
 1.34A 1wrkA-5gp9A:
undetectable
1wrkB-5gp9A:
undetectable		 1wrkA-5gp9A:
22.03
1wrkB-5gp9A:
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.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 5 PHE A 914
VAL A 843
LEU A 875
PHE A 888
LEU A 908
 None
 1.23A 1wrkA-5lewA:
undetectable
1wrkB-5lewA:
1.1		 1wrkA-5lewA:
6.90
1wrkB-5lewA:
6.90
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.
5ltq GREEN FLUORESCENT
PROTEIN BLFP-Y3

(Branchiostoma
lanceolatum) 		PF01353
(GFP) 		5 PHE A  15
VAL A 117
PHE A 122
SER A 169
LEU A  53
 None
 1.42A 1wrkA-5ltqA:
undetectable
1wrkB-5ltqA:
undetectable		 1wrkA-5ltqA:
16.23
1wrkB-5ltqA:
16.23
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.
5mtv EH DOMAIN-CONTAINING
PROTEIN 4

(Mus musculus) 		PF00350
(Dynamin_N)
PF16880
(EHD_N) 		5 PHE A 131
PHE A 100
LEU A  65
PHE A 135
LEU A 178
 None
 1.29A 1wrkA-5mtvA:
undetectable
1wrkB-5mtvA:
undetectable		 1wrkA-5mtvA:
10.33
1wrkB-5mtvA:
10.33
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 PHE A3619
VAL A3635
LEU A3679
PHE A3583
LEU A3645
 None
 1.32A 1wrkA-5nugA:
undetectable
1wrkB-5nugA:
undetectable		 1wrkA-5nugA:
1.77
1wrkB-5nugA:
1.77
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.
5oen INTERFERON
REGULATORY FACTOR 9
SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION

(Mus musculus) 		no annotation 5 PHE A 218
PHE A 345
PHE A 253
PHE B 174
LEU A 343
 None
 1.44A 1wrkA-5oenA:
undetectable
1wrkB-5oenA:
undetectable		 1wrkA-5oenA:
20.00
1wrkB-5oenA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oup PERFORIN-LIKE
PROTEIN 1

(Toxoplasma
gondii) 		no annotation 5 PHE A 784
VAL A 608
LEU A 497
PHE A 657
LEU A 775
 None
 1.41A 1wrkA-5oupA:
undetectable
1wrkB-5oupA:
undetectable		 1wrkA-5oupA:
19.75
1wrkB-5oupA:
19.75
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.
5tj6 HIGH CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL

(Aplysia
californica) 		PF00520
(Ion_trans)
PF03493
(BK_channel_a) 		5 PHE A 492
VAL A 987
LEU A1062
PHE A 540
LEU A 950
 None
 1.46A 1wrkA-5tj6A:
undetectable
1wrkB-5tj6A:
undetectable		 1wrkA-5tj6A:
6.70
1wrkB-5tj6A:
6.70
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.
5tj6 HIGH CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL

(Aplysia
californica) 		PF00520
(Ion_trans)
PF03493
(BK_channel_a) 		5 PHE A 500
PHE A 492
VAL A 987
LEU A1062
LEU A 950
 None
 1.40A 1wrkA-5tj6A:
undetectable
1wrkB-5tj6A:
undetectable		 1wrkA-5tj6A:
6.70
1wrkB-5tj6A:
6.70
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.
5vjy DUTP PYROPHOSPHATASE

(Naegleria
fowleri) 		PF00692
(dUTPase) 		5 PHE A 113
VAL A  82
MET A   7
SER A   2
LEU A  90
 None
BTB  A 201 ( 4.3A)
None
None
None
 1.40A 1wrkA-5vjyA:
undetectable
1wrkB-5vjyA:
undetectable		 1wrkA-5vjyA:
16.77
1wrkB-5vjyA:
16.77
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.
5w21 KLOTHO

(Homo sapiens) 		no annotation 5 PHE A 366
PHE A 332
VAL A 331
PHE A 216
LEU A 298
 None
 1.29A 1wrkA-5w21A:
undetectable
1wrkB-5w21A:
undetectable		 1wrkA-5w21A:
19.15
1wrkB-5w21A:
19.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w88 TROPONIN C, TROPONIN
I

(Homo sapiens) 		PF00992
(Troponin)
PF13833
(EF-hand_8) 		6 PHE A  20
PHE A  27
LEU A  48
MET A  81
SER A  84
LEU A 157
 None
9XG  A 201 (-3.8A)
9XG  A 201 ( 4.8A)
9XG  A 201 ( 4.6A)
9XG  A 201 ( 4.3A)
None
 1.39A 1wrkA-5w88A:
11.9
1wrkB-5w88A:
11.5		 1wrkA-5w88A:
100.00
1wrkB-5w88A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w88 TROPONIN C, TROPONIN
I

(Homo sapiens) 		PF00992
(Troponin)
PF13833
(EF-hand_8) 		7 PHE A  20
PHE A  27
VAL A  44
LEU A  48
PHE A  77
MET A  81
SER A  84
 None
9XG  A 201 (-3.8A)
9XG  A 201 ( 4.2A)
9XG  A 201 ( 4.8A)
9XG  A 201 (-3.8A)
9XG  A 201 ( 4.6A)
9XG  A 201 ( 4.3A)
 1.33A 1wrkA-5w88A:
11.9
1wrkB-5w88A:
11.5		 1wrkA-5w88A:
100.00
1wrkB-5w88A:
100.00
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.
5wan PYRIMIDINE
MONOOXYGENASE RUTA

(Escherichia
coli) 		PF00296
(Bac_luciferase) 		5 PHE A 218
VAL A 244
LEU A 330
PHE A  45
LEU A 316
 None
 1.45A 1wrkA-5wanA:
undetectable
1wrkB-5wanA:
undetectable		 1wrkA-5wanA:
12.16
1wrkB-5wanA:
12.16
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.
5x4r S PROTEIN

(Middle East
respiratory
syndrome-related
coronavirus) 		no annotation 5 PHE A 116
LEU A 284
PHE A 112
PHE A 183
LEU A 265
 None
 1.26A 1wrkA-5x4rA:
undetectable
1wrkB-5x4rA:
undetectable		 1wrkA-5x4rA:
13.15
1wrkB-5x4rA:
13.15
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.
5x59 S PROTEIN

(Middle East
respiratory
syndrome-related
coronavirus) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind) 		5 PHE A 116
LEU A 284
PHE A 112
PHE A 183
LEU A 265
 None
 1.26A 1wrkA-5x59A:
undetectable
1wrkB-5x59A:
undetectable		 1wrkA-5x59A:
4.74
1wrkB-5x59A:
4.74
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.
6byo VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		no annotation 5 VAL A 610
LEU A 611
PHE A 597
PHE A 567
LEU A 644
 None
 1.37A 1wrkA-6byoA:
undetectable
1wrkB-6byoA:
undetectable		 1wrkA-6byoA:
17.58
1wrkB-6byoA:
17.58