SIMILAR PATTERNS OF AMINO ACIDS FOR 1WU8_C_ADNC502

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.
1hm7 PENTALENENE SYNTHASE

(Streptomyces
exfoliatus) 		no annotation 4 PHE A 199
ARG A 138
HIS A 142
VAL A 179
 None
 1.34A 1wu8A-1hm7A:
undetectable
1wu8C-1hm7A:
undetectable		 1wu8A-1hm7A:
22.57
1wu8C-1hm7A:
22.57
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.
1kon PROTEIN YEBC

(Escherichia
coli) 		PF01709
(Transcrip_reg) 		4 PHE A 117
ASN A 123
TYR A  90
VAL A 130
 None
 1.38A 1wu8A-1konA:
undetectable
1wu8C-1konA:
undetectable		 1wu8A-1konA:
24.00
1wu8C-1konA:
24.00
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.
1q7r PREDICTED
AMIDOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF01174
(SNO) 		4 PHE A  75
TYR A 181
ASN A 184
VAL A 124
 None
 1.18A 1wu8A-1q7rA:
undetectable
1wu8C-1q7rA:
undetectable		 1wu8A-1q7rA:
22.22
1wu8C-1q7rA:
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.
1qfx PROTEIN (PH 2.5 ACID
PHOSPHATASE)

(Aspergillus
niger) 		PF00328
(His_Phos_2) 		4 PHE A 316
ASN A 315
ASN A 180
VAL A 147
 None
None
NAG  A 739 (-4.2A)
None
 1.29A 1wu8A-1qfxA:
0.4
1wu8C-1qfxA:
0.3		 1wu8A-1qfxA:
20.71
1wu8C-1qfxA:
20.71
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.
1u2v ACTIN-RELATED
PROTEIN 3
ARP2/3 COMPLEX 34KDA
SUBUNIT

(Bos taurus) 		PF00022
(Actin)
PF04045
(P34-Arc) 		4 ASN A 135
ARG D 248
HIS D 252
VAL D 175
 None
 1.20A 1wu8A-1u2vA:
undetectable
1wu8C-1u2vA:
undetectable		 1wu8A-1u2vA:
22.79
1wu8C-1u2vA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u4f INWARD RECTIFIER
POTASSIUM CHANNEL 2

(Mus musculus) 		PF01007
(IRK) 		4 PHE A 262
ASN A 216
HIS A 221
VAL A  56
 None
 1.31A 1wu8A-1u4fA:
undetectable
1wu8C-1u4fA:
undetectable		 1wu8A-1u4fA:
21.75
1wu8C-1u4fA:
21.75
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.
1xtz RIBOSE-5-PHOSPHATE
ISOMERASE

(Saccharomyces
cerevisiae) 		PF06026
(Rib_5-P_isom_A) 		4 ASN A  33
TYR A 245
HIS A 263
VAL A 253
 None
 1.06A 1wu8A-1xtzA:
undetectable
1wu8C-1xtzA:
undetectable		 1wu8A-1xtzA:
21.16
1wu8C-1xtzA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yle ARGININE
N-SUCCINYLTRANSFERAS
E, ALPHA CHAIN

(Pseudomonas
aeruginosa) 		PF04958
(AstA) 		4 PHE A 254
TYR A 189
ASN A 188
VAL A  24
 None
 1.34A 1wu8A-1yleA:
undetectable
1wu8C-1yleA:
undetectable		 1wu8A-1yleA:
23.38
1wu8C-1yleA:
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.
1zcl PROTEIN TYROSINE
PHOSPHATASE 4A1

(Rattus
norvegicus) 		PF00782
(DSPc) 		4 ASN A  24
TYR A  53
ASN A  27
VAL A  58
 None
 1.28A 1wu8A-1zclA:
undetectable
1wu8C-1zclA:
undetectable		 1wu8A-1zclA:
21.67
1wu8C-1zclA:
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.
1zjc AMINOPEPTIDASE AMPS

(Staphylococcus
aureus) 		PF02073
(Peptidase_M29) 		4 ASN A 344
ARG A 180
HIS A 193
VAL A 254
 None
 1.36A 1wu8A-1zjcA:
undetectable
1wu8C-1zjcA:
undetectable		 1wu8A-1zjcA:
23.46
1wu8C-1zjcA:
23.46
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.
2e2d METALLOPROTEINASE
INHIBITOR 2

(Bos taurus) 		PF00965
(TIMP) 		4 PHE C1062
ASN C1095
TYR C1064
VAL C1029
 None
 1.09A 1wu8A-2e2dC:
undetectable
1wu8C-2e2dC:
undetectable		 1wu8A-2e2dC:
18.39
1wu8C-2e2dC:
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.
2fpq BOTULINUM NEUROTOXIN
D LIGHT CHAIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 PHE A 399
ASN A 400
ASN A 371
VAL A 224
 None
 1.17A 1wu8A-2fpqA:
undetectable
1wu8C-2fpqA:
undetectable		 1wu8A-2fpqA:
22.43
1wu8C-2fpqA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gh9 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN

(Thermus
thermophilus) 		PF13416
(SBP_bac_8) 		4 ASN A 159
TYR A 151
ASN A 152
VAL A 209
 None
 1.39A 1wu8A-2gh9A:
1.9
1wu8C-2gh9A:
1.8		 1wu8A-2gh9A:
24.87
1wu8C-2gh9A:
24.87
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.
2gjm LACTOPEROXIDASE

(Bubalus bubalis) 		PF03098
(An_peroxidase) 		4 ASN A  16
TYR A 316
ASN A 317
ARG A  18
 None
None
NAG  A 588 (-1.9A)
None
 1.40A 1wu8A-2gjmA:
undetectable
1wu8C-2gjmA:
undetectable		 1wu8A-2gjmA:
18.82
1wu8C-2gjmA:
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.
2jdx PROTEIN
(L-ARGININE:GLYCINE
AMIDINOTRANSFERASE)

(Homo sapiens) 		no annotation 4 PHE A 244
TYR A 227
ASN A 224
ARG A 269
 None
 1.25A 1wu8A-2jdxA:
undetectable
1wu8C-2jdxA:
undetectable		 1wu8A-2jdxA:
18.93
1wu8C-2jdxA:
18.93
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.
2jep XYLOGLUCANASE

(Paenibacillus
pabuli) 		PF00150
(Cellulase) 		4 ASN A 129
ASN A  47
HIS A 264
VAL A 320
 None
 1.15A 1wu8A-2jepA:
undetectable
1wu8C-2jepA:
undetectable		 1wu8A-2jepA:
19.61
1wu8C-2jepA:
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.
2psb YERB PROTEIN

(Bacillus
subtilis) 		PF11258
(DUF3048)
PF17479
(DUF3048_C) 		4 PHE A 260
TYR A 199
ASN A 200
VAL A 186
 None
 1.30A 1wu8A-2psbA:
undetectable
1wu8C-2psbA:
undetectable		 1wu8A-2psbA:
20.12
1wu8C-2psbA:
20.12
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.
2pyx TRYPTOPHAN
HALOGENASE

(Shewanella
frigidimarina) 		PF04820
(Trp_halogenase) 		4 PHE A 251
ASN A 252
TYR A 421
ASN A 280
 None
 1.38A 1wu8A-2pyxA:
3.0
1wu8C-2pyxA:
2.8		 1wu8A-2pyxA:
19.77
1wu8C-2pyxA:
19.77
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.
2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Mycobacterium
tuberculosis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 PHE A 246
ASN A 274
ASN A  81
VAL A 205
 DFD  A 760 (-3.9A)
DFD  A 760 (-3.2A)
DFD  A 760 (-4.5A)
DFD  A 760 ( 4.1A)
 1.30A 1wu8A-2qnyA:
undetectable
1wu8C-2qnyA:
undetectable		 1wu8A-2qnyA:
25.00
1wu8C-2qnyA:
25.00
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.
2qw8 EUGENOL SYNTHASE 1

(Ocimum
basilicum) 		PF05368
(NmrA) 		4 PHE A 112
TYR A 210
ASN A 152
VAL A 208
 None
 0.93A 1wu8A-2qw8A:
1.9
1wu8C-2qw8A:
1.3		 1wu8A-2qw8A:
22.05
1wu8C-2qw8A:
22.05
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.
2vid SERINE PROTEASE SPLB

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		4 PHE A 173
ASN A  37
ASN A 156
VAL A 161
 None
 1.28A 1wu8A-2vidA:
undetectable
1wu8C-2vidA:
undetectable		 1wu8A-2vidA:
23.05
1wu8C-2vidA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aq2 6B PROTEIN

(Agrobacterium
vitis) 		PF02027
(RolB_RolC) 		4 TYR A 121
ASN A 106
HIS A 122
VAL A 119
 None
 1.32A 1wu8A-3aq2A:
undetectable
1wu8C-3aq2A:
undetectable		 1wu8A-3aq2A:
17.97
1wu8C-3aq2A:
17.97
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.
3bb7 INTERPAIN A

(Prevotella
intermedia) 		PF01640
(Peptidase_C10)
PF13734
(Inhibitor_I69) 		4 ASN A 325
TYR A 138
ASN A 139
VAL A 220
 None
 1.33A 1wu8A-3bb7A:
undetectable
1wu8C-3bb7A:
undetectable		 1wu8A-3bb7A:
21.49
1wu8C-3bb7A:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bba INTERPAIN A

(Prevotella
intermedia) 		PF01640
(Peptidase_C10) 		4 ASN A 325
TYR A 138
ASN A 139
VAL A 220
 None
 1.32A 1wu8A-3bbaA:
undetectable
1wu8C-3bbaA:
undetectable		 1wu8A-3bbaA:
22.06
1wu8C-3bbaA:
22.06
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.
3c1o EUGENOL SYNTHASE

(Clarkia breweri) 		PF05368
(NmrA) 		4 PHE A 111
TYR A 212
ASN A 151
VAL A 210
 None
 0.98A 1wu8A-3c1oA:
undetectable
1wu8C-3c1oA:
undetectable		 1wu8A-3c1oA:
21.88
1wu8C-3c1oA:
21.88
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.
3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821

(Thermoplasma
acidophilum) 		PF00583
(Acetyltransf_1) 		4 PHE A 217
ASN A 219
TYR A 145
VAL A 260
 None
 1.40A 1wu8A-3c26A:
undetectable
1wu8C-3c26A:
undetectable		 1wu8A-3c26A:
23.25
1wu8C-3c26A:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cm5 CELL DEATH-RELATED
NUCLEASE 4

(Caenorhabditis
elegans) 		PF00929
(RNase_T) 		4 ASN A  61
TYR A  27
ASN A  24
HIS A 290
 None
 1.14A 1wu8A-3cm5A:
undetectable
1wu8C-3cm5A:
undetectable		 1wu8A-3cm5A:
21.74
1wu8C-3cm5A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG

(Sulfolobus
solfataricus) 		PF00578
(AhpC-TSA) 		4 PHE A  36
ASN A 128
ARG A  99
VAL A   2
 None
 1.40A 1wu8A-3drnA:
undetectable
1wu8C-3drnA:
undetectable		 1wu8A-3drnA:
21.76
1wu8C-3drnA:
21.76
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.
3fef PUTATIVE GLUCOSIDASE
LPLD,
ALPHA-GALACTURONIDAS
E

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 ASN A 151
ARG A 275
HIS A 276
VAL A 115
 MG  A   1 ( 4.3A)
SO4  A   2 (-2.8A)
None
None
 1.38A 1wu8A-3fefA:
1.4
1wu8C-3fefA:
0.8		 1wu8A-3fefA:
23.21
1wu8C-3fefA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3goh ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Shewanella
oneidensis) 		PF08240
(ADH_N) 		4 ASN A  51
TYR A   9
ASN A  57
VAL A  16
 None
 1.34A 1wu8A-3gohA:
undetectable
1wu8C-3gohA:
undetectable		 1wu8A-3gohA:
21.60
1wu8C-3gohA:
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.
3i5p NUCLEOPORIN NUP170

(Saccharomyces
cerevisiae) 		PF03177
(Nucleoporin_C) 		4 PHE A1157
TYR A1152
ASN A1153
HIS A1158
 None
 1.18A 1wu8A-3i5pA:
undetectable
1wu8C-3i5pA:
undetectable		 1wu8A-3i5pA:
18.53
1wu8C-3i5pA:
18.53
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.
3ia7 CALG4

(Micromonospora
echinospora) 		PF00201
(UDPGT) 		4 PHE A 112
TYR A 180
ARG A 128
VAL A 177
 None
None
CL  A 403 (-4.8A)
None
 1.41A 1wu8A-3ia7A:
undetectable
1wu8C-3ia7A:
undetectable		 1wu8A-3ia7A:
22.72
1wu8C-3ia7A:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom) 		4 PHE A2548
ASN A2292
ARG A2381
VAL A2286
 None
 1.39A 1wu8A-3jbzA:
undetectable
1wu8C-3jbzA:
undetectable		 1wu8A-3jbzA:
12.85
1wu8C-3jbzA:
12.85
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.
3kbg 30S RIBOSOMAL
PROTEIN S4E

(Thermoplasma
acidophilum) 		PF00900
(Ribosomal_S4e)
PF01479
(S4) 		4 PHE A 217
TYR A  97
ASN A 184
VAL A  95
 None
 0.93A 1wu8A-3kbgA:
undetectable
1wu8C-3kbgA:
undetectable		 1wu8A-3kbgA:
25.27
1wu8C-3kbgA:
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.
3kmu INTEGRIN-LINKED
KINASE

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ASN A 279
ASN A 200
ARG A 323
VAL A 218
 None
 1.26A 1wu8A-3kmuA:
undetectable
1wu8C-3kmuA:
undetectable		 1wu8A-3kmuA:
22.62
1wu8C-3kmuA:
22.62
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.
3las PUTATIVE CARBONIC
ANHYDRASE

(Streptococcus
mutans) 		PF00484
(Pro_CA) 		4 PHE A 124
ARG A  65
HIS A  90
VAL A 165
 None
 1.29A 1wu8A-3lasA:
undetectable
1wu8C-3lasA:
undetectable		 1wu8A-3lasA:
23.74
1wu8C-3lasA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 PHE A 105
ASN A 185
ASN A 200
VAL A 160
 None
 1.36A 1wu8A-3ljpA:
undetectable
1wu8C-3ljpA:
undetectable		 1wu8A-3ljpA:
18.56
1wu8C-3ljpA:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ndy ENDOGLUCANASE D

(Clostridium
cellulovorans) 		PF00150
(Cellulase) 		4 ASN A 105
ASN A  27
HIS A 227
VAL A 272
 None
 1.25A 1wu8A-3ndyA:
undetectable
1wu8C-3ndyA:
undetectable		 1wu8A-3ndyA:
20.51
1wu8C-3ndyA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 PHE A 268
ASN A 266
TYR A 259
HIS A 310
 None
 1.24A 1wu8A-3nqxA:
undetectable
1wu8C-3nqxA:
undetectable		 1wu8A-3nqxA:
24.22
1wu8C-3nqxA:
24.22
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.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		4 PHE A 312
ASN A 305
ARG A 335
VAL A 342
 None
 1.29A 1wu8A-3o57A:
undetectable
1wu8C-3o57A:
undetectable		 1wu8A-3o57A:
18.78
1wu8C-3o57A:
18.78
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.
3o6p PEPTIDE ABC
TRANSPORTER,
PEPTIDE-BINDING
PROTEIN

(Enterococcus
faecalis) 		PF00496
(SBP_bac_5) 		4 PHE A 468
ASN A 475
ASN A 481
VAL A 488
 None
 1.32A 1wu8A-3o6pA:
undetectable
1wu8C-3o6pA:
undetectable		 1wu8A-3o6pA:
24.16
1wu8C-3o6pA:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o6x GLUTAMINE SYNTHETASE

(Bacteroides
fragilis) 		PF00120
(Gln-synt_C)
PF12437
(GSIII_N) 		4 PHE A 356
ASN A 354
ASN A 211
VAL A 208
 None
ADP  A4001 ( 4.4A)
None
None
 1.42A 1wu8A-3o6xA:
undetectable
1wu8C-3o6xA:
0.2		 1wu8A-3o6xA:
16.90
1wu8C-3o6xA:
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.
3pe7 OLIGOGALACTURONATE
LYASE

(Yersinia
enterocolitica) 		PF14583
(Pectate_lyase22) 		4 ASN A  82
TYR A  37
ASN A  36
HIS A  34
 None
 1.29A 1wu8A-3pe7A:
undetectable
1wu8C-3pe7A:
undetectable		 1wu8A-3pe7A:
21.78
1wu8C-3pe7A:
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.
3pzd MYOSIN-X

(Homo sapiens) 		PF00373
(FERM_M)
PF00784
(MyTH4)
PF00788
(RA) 		4 ASN A1615
TYR A1527
ASN A1530
VAL A1523
 None
 1.29A 1wu8A-3pzdA:
undetectable
1wu8C-3pzdA:
undetectable		 1wu8A-3pzdA:
19.56
1wu8C-3pzdA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sdo NITRILOTRIACETATE
MONOOXYGENASE

(Burkholderia
pseudomallei) 		PF00296
(Bac_luciferase) 		4 ASN A 201
TYR A 103
ASN A 104
VAL A 196
 None
 1.27A 1wu8A-3sdoA:
undetectable
1wu8C-3sdoA:
undetectable		 1wu8A-3sdoA:
20.50
1wu8C-3sdoA:
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.
3u95 GLYCOSIDE HYDROLASE,
FAMILY 4

(Thermotoga
neapolitana) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 PHE A 459
ASN A 460
TYR A 128
HIS A  92
 None
 1.37A 1wu8A-3u95A:
1.2
1wu8C-3u95A:
1.3		 1wu8A-3u95A:
21.10
1wu8C-3u95A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ugk SACCHAROPINE
DEHYDROGENASE [NAD+,
L-LYSINE-FORMING]

(Saccharomyces
cerevisiae) 		PF05222
(AlaDh_PNT_N) 		4 PHE A  46
TYR A  51
ARG A 327
VAL A  26
 None
 1.29A 1wu8A-3ugkA:
3.7
1wu8C-3ugkA:
3.6		 1wu8A-3ugkA:
23.79
1wu8C-3ugkA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ujp MN TRANSPORTER
SUBUNIT

(Synechocystis
sp. PCC 6803) 		PF01297
(ZnuA) 		4 ASN A 152
ASN A 110
HIS A  89
VAL A 294
 None
None
MN  A   1 (-3.3A)
None
 1.34A 1wu8A-3ujpA:
undetectable
1wu8C-3ujpA:
undetectable		 1wu8A-3ujpA:
21.34
1wu8C-3ujpA:
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.
3zh0 PROTOGLOBIN

(Methanosarcina
acetivorans) 		PF11563
(Protoglobin) 		4 ASN A 126
TYR A  85
ASN A  82
VAL A  89
 None
HEM  A 200 (-4.5A)
None
HEM  A 200 (-4.4A)
 1.36A 1wu8A-3zh0A:
undetectable
1wu8C-3zh0A:
undetectable		 1wu8A-3zh0A:
22.40
1wu8C-3zh0A:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zjl PROTOGLOBIN

(Methanosarcina
acetivorans) 		PF11563
(Protoglobin) 		4 ASN A 126
TYR A  85
ASN A  82
VAL A  89
 HEM  A 200 (-4.9A)
HEM  A 200 (-4.4A)
None
HEM  A 200 (-4.5A)
 1.33A 1wu8A-3zjlA:
undetectable
1wu8C-3zjlA:
undetectable		 1wu8A-3zjlA:
20.22
1wu8C-3zjlA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b52 BACILLOLYSIN

(Paenibacillus
polymyxa) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 ASN A 158
TYR A 150
ASN A 215
HIS A 219
 None
RDF  A 501 ( 4.7A)
None
RDF  A 501 (-3.6A)
 1.41A 1wu8A-4b52A:
undetectable
1wu8C-4b52A:
undetectable		 1wu8A-4b52A:
21.04
1wu8C-4b52A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bpc RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE S

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 PHE A1909
TYR A1929
ARG A1686
VAL A1923
 None
 1.27A 1wu8A-4bpcA:
undetectable
1wu8C-4bpcA:
undetectable		 1wu8A-4bpcA:
17.88
1wu8C-4bpcA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c22 L-FUCOSE ISOMERASE

(Streptococcus
pneumoniae) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		4 ASN A 336
TYR A 175
ASN A 203
VAL A 342
 None
 1.27A 1wu8A-4c22A:
2.2
1wu8C-4c22A:
0.9		 1wu8A-4c22A:
18.95
1wu8C-4c22A:
18.95
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.
4cp8 ALLOPHANATE
HYDROLASE

(Pseudomonas sp.
ADP) 		PF01425
(Amidase) 		4 PHE A 196
ASN A 197
ASN A 157
VAL A 397
 None
 1.10A 1wu8A-4cp8A:
undetectable
1wu8C-4cp8A:
undetectable		 1wu8A-4cp8A:
19.88
1wu8C-4cp8A:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4czd PUTATIVE
TRANSCRIPTIONAL
REGULATOR, ASNC
FAMILY

(Desulfovibrio
desulfuricans) 		PF13404
(HTH_AsnC-type) 		4 PHE A 127
ASN A 116
ASN A 124
VAL A 150
 None
 1.37A 1wu8A-4czdA:
undetectable
1wu8C-4czdA:
undetectable		 1wu8A-4czdA:
18.59
1wu8C-4czdA:
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.
4e4j ARGININE DEIMINASE

(Mycoplasma
penetrans) 		PF02274
(Amidinotransf) 		4 PHE A 297
TYR A 246
ASN A 288
VAL A 213
 None
 1.40A 1wu8A-4e4jA:
undetectable
1wu8C-4e4jA:
undetectable		 1wu8A-4e4jA:
22.80
1wu8C-4e4jA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gl9 TYROSINE-PROTEIN
KINASE

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		4 TYR A 934
ARG A 947
HIS A 944
VAL A 984
 None
 1.28A 1wu8A-4gl9A:
undetectable
1wu8C-4gl9A:
undetectable		 1wu8A-4gl9A:
26.36
1wu8C-4gl9A:
26.36
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.
4gpv PUTATIVE CELL
ADHESION PROTEIN

(Bacteroides
eggerthii) 		PF06321
(P_gingi_FimA) 		4 ASN A  90
TYR A  69
ASN A  68
VAL A 107
 None
 1.01A 1wu8A-4gpvA:
undetectable
1wu8C-4gpvA:
undetectable		 1wu8A-4gpvA:
22.38
1wu8C-4gpvA:
22.38
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.
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo sapiens;
Rattus
norvegicus) 		PF00012
(HSP70) 		4 TYR A 137
ASN A 471
HIS A 503
VAL A 139
 None
 1.11A 1wu8A-4j8fA:
undetectable
1wu8C-4j8fA:
undetectable		 1wu8A-4j8fA:
18.97
1wu8C-4j8fA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jqr HYPOTHETICAL PROTEIN

(Bacteroides
caccae) 		PF14717
(DUF4465) 		4 PHE A  60
ASN A  68
ASN A  65
VAL A  31
 None
EDO  A 304 (-3.8A)
None
EDO  A 310 (-4.5A)
 1.41A 1wu8A-4jqrA:
undetectable
1wu8C-4jqrA:
undetectable		 1wu8A-4jqrA:
23.11
1wu8C-4jqrA:
23.11
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.
4le6 ORGANOPHOSPHORUS
HYDROLASE

(Pseudomonas
pseudoalcaligenes) 		PF00753
(Lactamase_B) 		4 PHE A 297
ASN A  90
TYR A  92
VAL A  47
 None
 1.40A 1wu8A-4le6A:
undetectable
1wu8C-4le6A:
undetectable		 1wu8A-4le6A:
21.56
1wu8C-4le6A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lgq PUTATIVE POLYKETIDE
CYCLASE

(Chromobacterium
violaceum) 		PF07366
(SnoaL) 		4 PHE A  56
ASN A  22
HIS A  61
VAL A  69
 None
 1.24A 1wu8A-4lgqA:
undetectable
1wu8C-4lgqA:
undetectable		 1wu8A-4lgqA:
20.40
1wu8C-4lgqA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m29 BETA-XYLOSIDASE

(Caulobacter
vibrioides) 		PF01229
(Glyco_hydro_39) 		4 PHE A 338
TYR A 231
HIS A 292
VAL A 233
 None
 1.37A 1wu8A-4m29A:
undetectable
1wu8C-4m29A:
undetectable		 1wu8A-4m29A:
20.72
1wu8C-4m29A:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP

(Shewanella
oneidensis) 		PF03480
(DctP) 		4 PHE A 161
ASN A 219
HIS A 241
VAL A 180
 None
SIN  A 401 (-3.4A)
None
None
 1.37A 1wu8A-4mx6A:
undetectable
1wu8C-4mx6A:
undetectable		 1wu8A-4mx6A:
22.51
1wu8C-4mx6A:
22.51
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.
4n7t PHOSPHOPENTOMUTASE

(Streptococcus
mutans) 		PF01676
(Metalloenzyme) 		4 PHE A 285
ARG A   6
HIS A   8
VAL A 247
 None
 1.32A 1wu8A-4n7tA:
1.7
1wu8C-4n7tA:
1.2		 1wu8A-4n7tA:
20.53
1wu8C-4n7tA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n9g ANTIBODY 17HD9,
HEAVY CHAIN

(Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN A  58
TYR A  56
ASN A  52
ARG A 100
 None
 0.99A 1wu8A-4n9gA:
undetectable
1wu8C-4n9gA:
undetectable		 1wu8A-4n9gA:
22.46
1wu8C-4n9gA:
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.
4nf7 ENDO-1,4-BETA-GLUCAN
ASE CEL5C

(Butyrivibrio
proteoclasticus) 		PF00150
(Cellulase) 		4 ASN A 138
ASN A  51
HIS A 273
VAL A 318
 None
 1.23A 1wu8A-4nf7A:
undetectable
1wu8C-4nf7A:
undetectable		 1wu8A-4nf7A:
21.78
1wu8C-4nf7A:
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.
4ovr TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Xanthobacter
autotrophicus) 		PF03480
(DctP) 		4 PHE A 150
ASN A 208
HIS A 230
VAL A 169
 None
GTR  A 403 (-3.0A)
None
None
 1.25A 1wu8A-4ovrA:
undetectable
1wu8C-4ovrA:
undetectable		 1wu8A-4ovrA:
24.84
1wu8C-4ovrA:
24.84
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.
4pf8 TRAP-T FAMILY
TRANSPORTER, DCTP
(PERIPLASMIC
BINDING) SUBUNIT

(Sulfitobacter
sp. NAS-14.1) 		PF03480
(DctP) 		4 PHE A 149
ASN A 208
HIS A 230
VAL A 169
 None
GTR  A 402 (-2.9A)
None
None
 1.23A 1wu8A-4pf8A:
undetectable
1wu8C-4pf8A:
undetectable		 1wu8A-4pf8A:
23.50
1wu8C-4pf8A:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qrj PUTATIVE
6-PHOSPHOGLUCONOLACT
ONASE

(Bacteroides
uniformis) 		PF10282
(Lactonase) 		4 ASN A 319
ARG A 223
HIS A 224
VAL A 121
 None
 1.14A 1wu8A-4qrjA:
undetectable
1wu8C-4qrjA:
undetectable		 1wu8A-4qrjA:
22.91
1wu8C-4qrjA:
22.91
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.
4r2f EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Pseudarthrobacter
chlorophenolicus) 		PF01547
(SBP_bac_1) 		4 PHE A 101
TYR A 333
ASN A 335
VAL A 113
 None
 1.36A 1wu8A-4r2fA:
undetectable
1wu8C-4r2fA:
undetectable		 1wu8A-4r2fA:
20.65
1wu8C-4r2fA:
20.65
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.
4rl9 CARBAPENEM-ASSOCIATE
D RESISTANCE PROTEIN

(Acinetobacter
baumannii) 		no annotation 4 ASN A  78
ASN A  49
ARG A  22
VAL A 219
 None
 1.29A 1wu8A-4rl9A:
undetectable
1wu8C-4rl9A:
undetectable		 1wu8A-4rl9A:
19.20
1wu8C-4rl9A:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4trq NUCLEAR MRNA EXPORT
PROTEIN SAC3

(Saccharomyces
cerevisiae) 		PF03399
(SAC3_GANP) 		4 ASN A 484
TYR A 528
ARG A 454
VAL A 323
 None
 1.37A 1wu8A-4trqA:
undetectable
1wu8C-4trqA:
undetectable		 1wu8A-4trqA:
21.65
1wu8C-4trqA:
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.
4twe N-ACETYLATED-ALPHA-L
INKED ACIDIC
DIPEPTIDASE-LIKE
PROTEIN

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 PHE A 108
TYR A 150
ASN A 115
ARG A 340
 GOL  A 815 ( 3.7A)
None
None
GOL  A 815 (-3.9A)
 1.39A 1wu8A-4tweA:
undetectable
1wu8C-4tweA:
1.6		 1wu8A-4tweA:
17.62
1wu8C-4tweA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v2x ENDO-BETA-1,4-GLUCAN
ASE (CELLULASE B)

(Bacillus
halodurans) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		4 ASN A 126
ASN A  47
HIS A 249
VAL A 293
 None
 1.16A 1wu8A-4v2xA:
undetectable
1wu8C-4v2xA:
undetectable		 1wu8A-4v2xA:
20.14
1wu8C-4v2xA:
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.
4x7m TARM

(Staphylococcus
aureus) 		PF00534
(Glycos_transf_1) 		4 PHE A 134
ARG A  95
HIS A  91
VAL A 151
 None
 1.35A 1wu8A-4x7mA:
2.8
1wu8C-4x7mA:
2.8		 1wu8A-4x7mA:
21.75
1wu8C-4x7mA:
21.75
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.
4x9x DEGV
DOMAIN-CONTAINING
PROTEIN MW1315

(Staphylococcus
aureus) 		PF02645
(DegV) 		4 ASN A 246
TYR A 254
ASN A 253
VAL A 229
 None
 1.18A 1wu8A-4x9xA:
2.9
1wu8C-4x9xA:
2.9		 1wu8A-4x9xA:
21.20
1wu8C-4x9xA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y1b ANTE

(Streptomyces
sp. NRRL 2288) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 TYR A 147
ASN A  66
HIS A  91
VAL A 144
 None
 1.42A 1wu8A-4y1bA:
undetectable
1wu8C-4y1bA:
undetectable		 1wu8A-4y1bA:
19.10
1wu8C-4y1bA:
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.
5c1e PECTINESTERASE

(Aspergillus
niger) 		PF01095
(Pectinesterase) 		4 TYR A 259
ASN A 289
ARG A 299
VAL A 257
 None
 1.16A 1wu8A-5c1eA:
undetectable
1wu8C-5c1eA:
undetectable		 1wu8A-5c1eA:
23.69
1wu8C-5c1eA:
23.69
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		4 PHE A1278
ASN A1249
ARG A1243
VAL A1186
 None
 1.41A 1wu8A-5cslA:
2.5
1wu8C-5cslA:
undetectable		 1wu8A-5cslA:
8.24
1wu8C-5cslA:
8.24
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		4 PHE A1278
ASN A1249
ARG A1243
VAL A1224
 None
 1.32A 1wu8A-5cslA:
2.5
1wu8C-5cslA:
undetectable		 1wu8A-5cslA:
8.24
1wu8C-5cslA:
8.24
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.
5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL

(Homo sapiens) 		PF03630
(Fumble) 		4 PHE A 354
ASN A 355
HIS A 553
VAL A 266
 None
 1.15A 1wu8A-5e26A:
undetectable
1wu8C-5e26A:
undetectable		 1wu8A-5e26A:
21.96
1wu8C-5e26A:
21.96
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.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		4 ASN A1080
ARG A1086
HIS A1066
VAL A1069
 None
 1.15A 1wu8A-5h42A:
undetectable
1wu8C-5h42A:
undetectable		 1wu8A-5h42A:
12.91
1wu8C-5h42A:
12.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5irc RHO
GTPASE-ACTIVATING
PROTEIN 35

(Rattus
norvegicus) 		PF00620
(RhoGAP) 		4 PHE A1299
ASN A1245
HIS A1303
VAL A1254
 None
 1.27A 1wu8A-5ircA:
undetectable
1wu8C-5ircA:
undetectable		 1wu8A-5ircA:
18.75
1wu8C-5ircA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iv9 LPS-ASSEMBLY PROTEIN
LPTD

(Klebsiella
pneumoniae) 		PF03968
(OstA)
PF04453
(OstA_C) 		4 PHE A 146
TYR A 116
HIS A 165
VAL A  93
 None
 1.40A 1wu8A-5iv9A:
undetectable
1wu8C-5iv9A:
undetectable		 1wu8A-5iv9A:
15.92
1wu8C-5iv9A:
15.92
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.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
gingivalis) 		PF10459
(Peptidase_S46) 		4 PHE A 671
ASN A  83
ASN A 654
VAL A 659
 None
 1.18A 1wu8A-5jwfA:
undetectable
1wu8C-5jwfA:
undetectable		 1wu8A-5jwfA:
18.53
1wu8C-5jwfA:
18.53
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		4 PHE A 668
ASN A  83
ASN A 651
VAL A 656
 None
 1.20A 1wu8A-5jxkA:
undetectable
1wu8C-5jxkA:
undetectable		 1wu8A-5jxkA:
18.32
1wu8C-5jxkA:
18.32
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.
5jxl FLAGELLAR HOOK
PROTEIN FLGE

(Campylobacter
jejuni) 		PF00460
(Flg_bb_rod)
PF06429
(Flg_bbr_C)
PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 PHE A 781
ASN A 769
ARG A  77
HIS A  79
 None
 1.26A 1wu8A-5jxlA:
undetectable
1wu8C-5jxlA:
undetectable		 1wu8A-5jxlA:
13.97
1wu8C-5jxlA:
13.97
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF02538
(Hydantoinase_B)
PF05378
(Hydant_A_N) 		4 ASN A 405
ASN A 454
ARG A  57
VAL B 519
 None
 1.34A 1wu8A-5l9wA:
undetectable
1wu8C-5l9wA:
undetectable		 1wu8A-5l9wA:
18.43
1wu8C-5l9wA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mm8 SERINE PROTEASE SPLE

(Staphylococcus
aureus) 		no annotation 4 PHE A 171
ASN A  37
ASN A 154
VAL A 159
 None
 1.34A 1wu8A-5mm8A:
undetectable
1wu8C-5mm8A:
undetectable		 1wu8A-5mm8A:
18.44
1wu8C-5mm8A:
18.44
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.
5oyd CELLULASE, PUTATIVE,
CEL5D

(Cellvibrio
japonicus) 		no annotation 4 ASN A 206
ASN A 129
HIS A 323
VAL A 387
 None
None
NBG  A 501 ( 3.7A)
None
 1.15A 1wu8A-5oydA:
undetectable
1wu8C-5oydA:
undetectable		 1wu8A-5oydA:
14.34
1wu8C-5oydA:
14.34
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.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		4 PHE A 276
ASN A 280
TYR A 286
VAL A 288
 None
 1.37A 1wu8A-5u2gA:
2.5
1wu8C-5u2gA:
undetectable		 1wu8A-5u2gA:
14.54
1wu8C-5u2gA:
14.54
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.
5ua0 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 4 PHE A  53
ASN A  27
ARG A  78
VAL A 115
 None
 0.98A 1wu8A-5ua0A:
1.4
1wu8C-5ua0A:
undetectable		 1wu8A-5ua0A:
15.35
1wu8C-5ua0A:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ua0 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 4 PHE A  53
ASN A  27
TYR A 110
VAL A 115
 None
 1.25A 1wu8A-5ua0A:
1.4
1wu8C-5ua0A:
undetectable		 1wu8A-5ua0A:
15.35
1wu8C-5ua0A:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uyg PERIPLASMIC CHELATED
IRON-BINDING PROTEIN
YFEA

(Yersinia pestis) 		PF01297
(ZnuA) 		4 ASN A 139
ASN A  97
HIS A  76
VAL A 281
 None
None
ZN  A 401 (-3.3A)
None
 1.39A 1wu8A-5uygA:
undetectable
1wu8C-5uygA:
undetectable		 1wu8A-5uygA:
21.10
1wu8C-5uygA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vqd BETA-GLUCOSIDE
PHOSPHORYLASE BGLX

(unidentified) 		no annotation 4 PHE A 476
ASN A 420
ASN A 161
HIS A 516
 None
 1.38A 1wu8A-5vqdA:
undetectable
1wu8C-5vqdA:
undetectable		 1wu8A-5vqdA:
15.12
1wu8C-5vqdA:
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.
5y31 DISINTEGRIN AND
METALLOPROTEINASE
DOMAIN-CONTAINING
PROTEIN 22

(Homo sapiens) 		no annotation 4 PHE A 360
ASN A 247
HIS A 255
VAL A 269
 None
 1.00A 1wu8A-5y31A:
3.5
1wu8C-5y31A:
3.4		 1wu8A-5y31A:
13.39
1wu8C-5y31A:
13.39
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.
6d2q FERM, RHOGEF
(ARHGEF) AND
PLECKSTRIN DOMAIN
PROTEIN 1
(CHONDROCYTE-DERIVED
)

(Danio rerio) 		no annotation 4 PHE A 318
ASN A 263
HIS A 247
VAL A 245
 None
 1.29A 1wu8A-6d2qA:
undetectable
1wu8C-6d2qA:
undetectable		 1wu8A-6d2qA:
undetectable
1wu8C-6d2qA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE
POLYSULPHIDE
REDUCTASE NRFD

(Rhodothermus
marinus) 		no annotation 4 ASN B 905
ASN C  76
HIS C 139
VAL C  87
 None
 1.22A 1wu8A-6f0kB:
undetectable
1wu8C-6f0kB:
undetectable		 1wu8A-6f0kB:
15.94
1wu8C-6f0kB:
15.94