SIMILAR PATTERNS OF AMINO ACIDS FOR 4W5R_A_IPHA905_0

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.
1ezr NUCLEOSIDE HYDROLASE

(Leishmania
major) 		PF01156
(IU_nuc_hydro) 		4 ALA A 197
LYS A 238
THR A 200
TYR A 236
 None
 1.30A 4w5rA-1ezrA:
2.1		 4w5rA-1ezrA:
17.24
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.
1hjr HOLLIDAY JUNCTION
RESOLVASE (RUVC)

(Escherichia
coli) 		PF02075
(RuvC) 		4 ALA A 144
LYS A 107
THR A 148
THR A 109
 None
 1.49A 4w5rA-1hjrA:
3.8		 4w5rA-1hjrA:
11.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 ASP A  63
ALA A  61
THR A 102
TYR A  67
 None
 1.43A 4w5rA-1j0nA:
0.0		 4w5rA-1j0nA:
20.74
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.
1pzs SUPEROXIDE DISMUTASE
[CU-ZN]

(Mycobacterium
tuberculosis) 		PF00080
(Sod_Cu) 		4 ASP A 158
ALA A 133
THR A 156
THR A 155
 None
 1.38A 4w5rA-1pzsA:
undetectable		 4w5rA-1pzsA:
13.70
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.
1ral 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		4 ASP A  50
ALA A  52
THR A  23
THR A  24
 None
 1.24A 4w5rA-1ralA:
undetectable		 4w5rA-1ralA:
16.47
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.
1uj4 RIBOSE 5-PHOSPHATE
ISOMERASE

(Thermus
thermophilus) 		PF06026
(Rib_5-P_isom_A) 		4 ASP A  86
ALA A 104
THR A  58
THR A  62
 None
CL  A 301 (-3.9A)
None
None
 1.33A 4w5rA-1uj4A:
0.0		 4w5rA-1uj4A:
14.49
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.
1vio RIBOSOMAL SMALL
SUBUNIT
PSEUDOURIDINE
SYNTHASE A

(Haemophilus
influenzae) 		PF00849
(PseudoU_synth_2)
PF01479
(S4) 		4 ASP A 114
ALA A  98
THR A 112
TYR A  62
 None
 1.48A 4w5rA-1vioA:
undetectable		 4w5rA-1vioA:
14.61
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.
1w2w 5-METHYLTHIORIBOSE-1
-PHOSPHATE ISOMERASE
5-METHYLTHIORIBOSE-1
-PHOSPHATE ISOMERASE

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF01008
(IF-2B)
PF01008
(IF-2B) 		4 ASP A 147
ALA A  57
THR B 315
THR B 316
 None
 1.43A 4w5rA-1w2wA:
undetectable		 4w5rA-1w2wA:
13.38
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.
1wra TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/CHOLINE
BINDING PROTEIN E
(CBPE)

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B) 		4 ASP A 207
LYS A 134
THR A 111
TYR A 136
 None
 1.42A 4w5rA-1wraA:
undetectable		 4w5rA-1wraA:
16.05
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.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		4 ASP A 297
ALA A 303
THR A 294
TYR A 301
 None
 1.33A 4w5rA-1yiqA:
undetectable		 4w5rA-1yiqA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b61 HOMOSERINE
O-ACETYLTRANSFERASE

(Haemophilus
influenzae) 		PF00561
(Abhydrolase_1) 		4 ASP A 334
ALA A 339
THR A 221
THR A 303
 None
 1.49A 4w5rA-2b61A:
3.1		 4w5rA-2b61A:
18.68
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.
2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B)
PF01473
(CW_binding_1) 		4 ASP A 182
LYS A 109
THR A  86
TYR A 111
 None
 1.43A 4w5rA-2bibA:
undetectable		 4w5rA-2bibA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fe0 SMALL MYRISTOYLATED
PROTEIN 1

(Leishmania
major) 		PF09149
(DUF1935) 		4 ALA A  49
THR A  98
THR A  20
TYR A  51
 None
 1.31A 4w5rA-2fe0A:
undetectable		 4w5rA-2fe0A:
9.20
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.
2i2x METHYLTRANSFERASE 1

(Methanosarcina
barkeri) 		PF02310
(B12-binding)
PF02607
(B12-binding_2) 		4 ASP B 134
ALA B 213
THR B 187
THR B 186
 B13  B 500 (-4.3A)
B13  B 500 ( 4.8A)
None
None
 1.38A 4w5rA-2i2xB:
5.7		 4w5rA-2i2xB:
15.78
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 ASP A 330
ALA A 812
THR A 809
THR A 807
 None
 1.16A 4w5rA-2ivfA:
undetectable		 4w5rA-2ivfA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nvo RO SIXTY-RELATED
PROTEIN, RSR

(Deinococcus
radiodurans) 		PF05731
(TROVE) 		4 ASP A 462
ALA A 496
THR A 461
THR A 465
 CA  A 533 ( 4.3A)
None
None
None
 1.48A 4w5rA-2nvoA:
undetectable		 4w5rA-2nvoA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oux MAGNESIUM
TRANSPORTER

(Enterococcus
faecalis) 		PF00571
(CBS)
PF03448
(MgtE_N) 		4 ASP A  67
ALA A 100
THR A 143
TYR A  96
 None
None
MG  A 406 ( 4.9A)
None
 1.12A 4w5rA-2ouxA:
undetectable		 4w5rA-2ouxA:
15.75
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.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE

(Streptococcus
sp.) 		PF01266
(DAO)
PF16901
(DAO_C) 		4 ASP A 316
ALA A 343
THR A 299
THR A 298
 None
None
None
FAD  A 609 (-3.9A)
 1.50A 4w5rA-2rghA:
undetectable		 4w5rA-2rghA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uu7 GLUTAMINE SYNTHETASE

(Canis lupus) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 ASP A 239
ALA A 250
THR A 237
THR A 138
 None
 1.42A 4w5rA-2uu7A:
undetectable		 4w5rA-2uu7A:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uu7 GLUTAMINE SYNTHETASE

(Canis lupus) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 ASP A 239
ALA A 344
THR A 237
THR A 138
 None
 1.40A 4w5rA-2uu7A:
undetectable		 4w5rA-2uu7A:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpw THIOSULFATE
REDUCTASE

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 ASP A 275
LYS A 281
THR A 283
TYR A 278
 None
 1.11A 4w5rA-2vpwA:
undetectable		 4w5rA-2vpwA:
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.
2w48 SORBITOL OPERON
REGULATOR

(Klebsiella
pneumoniae) 		PF04198
(Sugar-bind)
PF13936
(HTH_38) 		4 ALA A  28
THR A  37
THR A  36
TYR A  34
 None
 1.43A 4w5rA-2w48A:
undetectable		 4w5rA-2w48A:
16.31
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.
2xf2 CATALASE

(Penicillium
janthinellum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ASP A 117
ALA A 168
LYS A 158
THR A 170
 None
 1.43A 4w5rA-2xf2A:
undetectable		 4w5rA-2xf2A:
22.82
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.
2y7c TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN

(Escherichia
coli) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		4 ALA B 146
THR B 221
THR B 178
TYR B 149
 None
 1.49A 4w5rA-2y7cB:
undetectable		 4w5rA-2y7cB:
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.
3a1n NDP-SUGAR EPIMERASE

(Thermoplasma
volcanium) 		PF01370
(Epimerase) 		4 ASP A 212
ALA A 238
THR A 297
TYR A 292
 None
 1.11A 4w5rA-3a1nA:
4.3		 4w5rA-3a1nA:
17.08
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.
3d9r KETOSTEROID
ISOMERASE-LIKE
PROTEIN

(Pectobacterium
atrosepticum) 		PF12680
(SnoaL_2) 		4 ALA A  15
THR A  34
THR A 124
TYR A  19
 None
None
None
UNL  A 136 (-4.8A)
 1.13A 4w5rA-3d9rA:
undetectable		 4w5rA-3d9rA:
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.
3doo SHIKIMATE
DEHYDROGENASE

(Staphylococcus
epidermidis) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 ASP A 100
ALA A  78
THR A  99
THR A  86
 SKM  A 300 (-2.9A)
None
None
None
 1.49A 4w5rA-3dooA:
undetectable		 4w5rA-3dooA:
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.
3fbg PUTATIVE ARGINATE
LYASE

(Staphylococcus
haemolyticus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A 226
ALA A 247
THR A 225
THR A 244
 None
 1.47A 4w5rA-3fbgA:
2.1		 4w5rA-3fbgA:
18.10
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		4 ASP W 184
THR W 190
THR W  57
TYR W 183
 None
 1.49A 4w5rA-3iylW:
2.5		 4w5rA-3iylW:
21.62
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 ASP A 458
ALA A 253
THR A 251
THR A 249
 None
 1.22A 4w5rA-3kjrA:
undetectable		 4w5rA-3kjrA:
21.61
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.
3lpd ACIDIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE APRV2

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		4 ASP A  49
ALA A 124
THR A 257
TYR A 270
 CA  A   1 (-2.2A)
None
None
None
 1.37A 4w5rA-3lpdA:
undetectable		 4w5rA-3lpdA:
17.68
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.
3mx8 RIBONUCLEASE
PANCREATIC, LINKER,
RIBONUCLEASE
PANCREATIC

(Bos taurus) 		PF00074
(RnaseA) 		4 ASP A  83
ALA A 102
LYS A 104
THR A  82
 None
 1.49A 4w5rA-3mx8A:
undetectable		 4w5rA-3mx8A:
14.52
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.
3oib ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ASP A 229
ALA A 185
THR A 180
THR A 112
 None
None
FDA  A 518 (-3.9A)
None
 1.33A 4w5rA-3oibA:
undetectable		 4w5rA-3oibA:
17.54
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.
3ojl CAP5O

(Staphylococcus
aureus) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 ASP A 262
ALA A 121
THR A 119
THR A  82
 None
None
NAD  A 500 (-3.7A)
NAD  A 500 (-3.1A)
 1.29A 4w5rA-3ojlA:
undetectable		 4w5rA-3ojlA:
18.79
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.
3qpc CUTINASE

(Fusarium solani) 		PF01083
(Cutinase) 		4 ALA A 127
THR A 144
THR A 167
TYR A 162
 None
 1.28A 4w5rA-3qpcA:
5.6		 4w5rA-3qpcA:
13.23
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.
3r7k PROBABLE ACYL COA
DEHYDROGENASE

(Mycobacteroides
abscessus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ASP A 228
ALA A 184
THR A 179
THR A 111
 None
None
FDA  A 420 (-4.0A)
None
 1.35A 4w5rA-3r7kA:
undetectable		 4w5rA-3r7kA:
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.
3rjt LIPOLYTIC PROTEIN
G-D-S-L FAMILY

(Alicyclobacillus
acidocaldarius) 		PF13472
(Lipase_GDSL_2) 		4 ASP A  92
ALA A  66
THR A 115
TYR A 112
 None
 1.49A 4w5rA-3rjtA:
3.8		 4w5rA-3rjtA:
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.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		4 ASP A 293
THR A 302
THR A 305
TYR A 289
 None
 1.42A 4w5rA-3sl1A:
4.4		 4w5rA-3sl1A:
16.39
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.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		4 ASP A  49
ALA A 124
THR A 257
TYR A 270
 CA  A 353 (-2.3A)
None
None
None
 1.32A 4w5rA-3ti7A:
undetectable		 4w5rA-3ti7A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3voh CELLOBIOHYDROLASE

(Coprinopsis
cinerea) 		PF01341
(Glyco_hydro_6) 		4 ASP A 314
ALA A 256
THR A 307
TYR A 313
 None
 1.23A 4w5rA-3vohA:
undetectable		 4w5rA-3vohA:
18.72
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.
3vtf UDP-GLUCOSE
6-DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 ASP A 268
ALA A 271
THR A 125
THR A  87
 None
 1.45A 4w5rA-3vtfA:
undetectable		 4w5rA-3vtfA:
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.
3zzu ELONGATION FACTOR G

(Staphylococcus
aureus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		4 ASP A 305
ALA A 303
THR A 334
TYR A 370
 None
 1.22A 4w5rA-3zzuA:
3.4		 4w5rA-3zzuA:
22.20
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.
4aj9 CATALASE-3

(Neurospora
crassa) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ASP A 155
ALA A 206
LYS A 196
THR A 208
 ACT  A1716 (-3.0A)
None
None
None
 1.49A 4w5rA-4aj9A:
2.3		 4w5rA-4aj9A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF00037
(Fer4)
PF01058
(Oxidored_q6) 		4 ALA B 167
THR B 135
THR B 203
TYR B 202
 None
 1.34A 4w5rA-4ci0B:
undetectable		 4w5rA-4ci0B:
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.
4cxk ARYLSULFATASE

(Pseudomonas
aeruginosa) 		PF00884
(Sulfatase) 		4 ASP A 317
ALA A  50
LYS A 375
THR A  47
 CA  A1528 (-2.0A)
DDZ  A  51 ( 3.1A)
SO4  A1529 (-2.8A)
None
 1.05A 4w5rA-4cxkA:
undetectable		 4w5rA-4cxkA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4djh KAPPA-TYPE OPIOID
RECEPTOR, LYSOZYME

(Homo sapiens;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 ASP A 155
ALA A 166
THR A  94
THR A  92
 None
 1.46A 4w5rA-4djhA:
undetectable		 4w5rA-4djhA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dyo ASPARTYL
AMINOPEPTIDASE

(Homo sapiens) 		PF02127
(Peptidase_M18) 		4 ASP A 431
THR A 416
THR A 415
TYR A 381
 None
None
None
SD4  A 504 (-4.7A)
 1.28A 4w5rA-4dyoA:
undetectable		 4w5rA-4dyoA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h0f LAMININ-BINDING
SURFACE PROTEIN

(Streptococcus
agalactiae) 		PF01297
(ZnuA) 		4 ASP A 140
ALA A 208
THR A 145
TYR A 211
 None
ZN  A 401 ( 4.0A)
None
None
 1.47A 4w5rA-4h0fA:
undetectable		 4w5rA-4h0fA:
15.83
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.
4h3w HYPOTHETICAL PROTEIN

(Parabacteroides
distasonis) 		PF15414
(DUF4621) 		4 ASP A 133
ALA A 199
LYS A 203
THR A 154
 None
None
MLY  A 202 ( 2.9A)
None
 1.46A 4w5rA-4h3wA:
undetectable		 4w5rA-4h3wA:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ij5 PHOSPHOSERINE
PHOSPHATASE 1

(Hydrogenobacter
thermophilus) 		PF00300
(His_Phos_1) 		4 ASP A 175
ALA A 177
THR A 197
TYR A 204
 None
 1.24A 4w5rA-4ij5A:
2.0		 4w5rA-4ij5A:
13.00
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.
4iy9 30K PROTEIN 1

(Bombyx mori) 		PF03260
(Lipoprotein_11) 		4 ASP A 121
ALA A 100
LYS A  91
THR A 102
 None
 1.31A 4w5rA-4iy9A:
undetectable		 4w5rA-4iy9A:
12.11
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.
4j9j IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
SUBUNIT HISF

(Thermotoga
maritima) 		PF00977
(His_biosynth) 		4 LYS A 171
THR A 129
THR A 167
TYR A 168
 None
 1.49A 4w5rA-4j9jA:
2.7		 4w5rA-4j9jA:
14.67
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.
4ja0 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Bombyx mori) 		PF00731
(AIRC)
PF01259
(SAICAR_synt) 		4 ASP A 212
ALA A  57
LYS A  39
THR A  21
 None
None
None
SO4  A 505 (-3.6A)
 1.43A 4w5rA-4ja0A:
6.4		 4w5rA-4ja0A:
21.25
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.
4jng NUCLEOCAPSID PROTEIN

(Sathuperi
orthobunyavirus) 		PF00952
(Bunya_nucleocap) 		4 ASP A 156
ALA A 154
THR A 139
TYR A 158
 None
 1.32A 4w5rA-4jngA:
undetectable		 4w5rA-4jngA:
13.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4krf PROTEIN ARGONAUTE-1

(Homo sapiens) 		PF02170
(PAZ)
PF02171
(Piwi)
PF08699
(ArgoL1)
PF16486
(ArgoN)
PF16487
(ArgoMid)
PF16488
(ArgoL2) 		6 ASP A 535
ALA A 541
LYS A 568
THR A 850
THR A 853
TYR A 855
 None
None
U  R   1 ( 3.2A)
None
None
None
 0.13A 4w5rA-4krfA:
62.5		 4w5rA-4krfA:
82.46
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.
4lbw ELONGATION FACTOR
TU-A

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 ASP A  51
ALA A  66
THR A  25
THR A  28
 MG  A 502 (-4.0A)
NH4  A 503 ( 4.0A)
MG  A 502 ( 3.1A)
None
 1.49A 4w5rA-4lbwA:
5.3		 4w5rA-4lbwA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lws UNCHARACTERIZED
PROTEIN
UNCHARACTERIZED
PROTEIN

(Thermomonospora
curvata;
Thermomonospora
curvata) 		PF06013
(WXG100)
PF06013
(WXG100) 		4 ASP B  45
THR A  80
THR A  83
TYR A  84
 None
 1.26A 4w5rA-4lwsB:
undetectable		 4w5rA-4lwsB:
8.90
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.
4np4 TOXIN B

(Clostridioides
difficile) 		PF01473
(CW_binding_1) 		4 ASP A1924
ALA A1922
LYS A1906
TYR A1942
 None
 1.39A 4w5rA-4np4A:
undetectable		 4w5rA-4np4A:
15.31
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.
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus) 		PF00388
(PI-PLC-X) 		4 ASP A  31
ALA A  46
THR A  48
THR A 252
 INS  A 402 ( 4.3A)
None
None
None
 0.97A 4w5rA-4rv3A:
undetectable		 4w5rA-4rv3A:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u1a ENOYL-COA DELTA
ISOMERASE 2

(Homo sapiens) 		PF00378
(ECH_1) 		4 ASP A 147
ALA A 140
THR A 116
THR A 152
 None
 1.29A 4w5rA-4u1aA:
2.7		 4w5rA-4u1aA:
15.41
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.
4uhh ESTERASE

(Thermogutta
terrifontis) 		PF00561
(Abhydrolase_1) 		4 ASP A  81
ALA A  83
THR A   9
THR A  10
 None
 1.36A 4w5rA-4uhhA:
3.9		 4w5rA-4uhhA:
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.
4zxl O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		4 ALA A 125
LYS A 147
THR A 174
TYR A 176
 None
 1.38A 4w5rA-4zxlA:
2.4		 4w5rA-4zxlA:
20.78
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.
5c7q NUDF PROTEIN

(Bdellovibrio
bacteriovorus) 		PF00293
(NUDIX) 		4 ASP A 122
ALA A  45
THR A  85
THR A  88
 None
GOL  A 207 (-3.5A)
None
None
 1.45A 4w5rA-5c7qA:
undetectable		 4w5rA-5c7qA:
11.36
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		4 ALA A 320
LYS A 286
THR A 215
THR A 311
 None
 1.44A 4w5rA-5cjuA:
2.4		 4w5rA-5cjuA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5czr CADHERIN-RELATED
FAMILY MEMBER 2

(Homo sapiens) 		PF00028
(Cadherin) 		4 ASP A  99
ALA A 136
THR A 198
TYR A 193
 CA  A1002 ( 2.7A)
CA  A1004 (-4.4A)
None
None
 1.38A 4w5rA-5czrA:
undetectable		 4w5rA-5czrA:
14.47
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.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		4 ASP A  89
ALA A 161
THR A 134
THR A 135
 None
 1.50A 4w5rA-5ey8A:
2.6		 4w5rA-5ey8A:
21.27
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.
5f75 THIOCYANATE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 4 ASP A 529
ALA A 485
THR A 483
THR A 496
 None
 1.50A 4w5rA-5f75A:
undetectable		 4w5rA-5f75A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		4 ASP H  51
ALA H 115
THR H  48
THR H  -3
 None
 1.45A 4w5rA-5fg9H:
undetectable		 4w5rA-5fg9H:
14.13
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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		4 ALA A 450
THR A 719
THR A 721
TYR A 743
 None
 1.32A 4w5rA-5hlbA:
undetectable		 4w5rA-5hlbA:
22.08
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.
5im2 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL

(Rhodoferax
ferrireducens) 		PF03480
(DctP) 		4 ASP A  80
ALA A  76
THR A  92
TYR A  79
 None
 1.20A 4w5rA-5im2A:
undetectable		 4w5rA-5im2A:
18.00
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.
5jp0 BETA-GLUCOSIDASE
BOGH3B

(Bacteroides
ovatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ALA A 173
LYS A 104
THR A 136
THR A 139
 None
 1.19A 4w5rA-5jp0A:
3.9		 4w5rA-5jp0A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jrj PROTEIN RECA

(Herbaspirillum
seropedicae) 		PF00154
(RecA) 		4 ASP A 146
ALA A 144
THR A 194
THR A 192
 None
 1.25A 4w5rA-5jrjA:
2.7		 4w5rA-5jrjA:
18.79
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.
5jta NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 4 ASP A 516
ALA A 507
LYS A 533
THR A 528
 None
 1.29A 4w5rA-5jtaA:
undetectable		 4w5rA-5jtaA:
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.
5l8s AMINO ACYL PEPTIDASE

(Sporosarcina
psychrophila) 		PF00326
(Peptidase_S9) 		4 ASP A 369
LYS A 451
THR A 402
THR A 373
 SO4  A 701 (-3.7A)
None
SO4  A 701 ( 4.9A)
None
 1.24A 4w5rA-5l8sA:
4.3		 4w5rA-5l8sA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT

(Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B) 		4 ASP A 413
ALA A 200
THR A 150
THR A 149
 None
 1.28A 4w5rA-5l9wA:
undetectable		 4w5rA-5l9wA:
23.51
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.
5min QUINOPROTEIN GLUCOSE
DEHYDROGENASE B

(Acinetobacter
calcoaceticus) 		no annotation 4 ALA A 269
THR A 323
THR A 326
TYR A 271
 CA  A 502 (-4.6A)
None
None
None
 1.27A 4w5rA-5minA:
undetectable		 4w5rA-5minA:
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.
5mz6 SEPARASE

(Caenorhabditis
elegans) 		PF03568
(Peptidase_C50) 		4 ASP 1 562
ALA 1 566
THR 1 324
TYR 1 651
 None
 1.48A 4w5rA-5mz61:
3.5		 4w5rA-5mz61:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oex -

(-) 		no annotation 4 ASP A 529
ALA A 485
THR A 483
THR A 496
 None
None
CU  A 604 ( 4.8A)
None
 1.45A 4w5rA-5oexA:
undetectable		 4w5rA-5oexA:
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.
5swv PENTAFUNCTIONAL AROM
POLYPEPTIDE

(Schizosaccharomyces
pombe) 		PF01487
(DHquinase_I)
PF08501
(Shikimate_dh_N) 		4 ASP C1395
ALA C1369
THR C1394
THR C1377
 None
 1.49A 4w5rA-5swvC:
undetectable		 4w5rA-5swvC:
22.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vm9 PROTEIN ARGONAUTE-3

(Homo sapiens) 		no annotation 5 ASP A 538
ALA A 544
LYS A 571
THR A 853
THR A 856
 None
None
A  B   1 ( 2.9A)
None
None
 0.77A 4w5rA-5vm9A:
58.3		 4w5rA-5vm9A:
79.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vm9 PROTEIN ARGONAUTE-3

(Homo sapiens) 		no annotation 5 ASP A 538
ALA A 544
LYS A 571
THR A 856
TYR A 858
 None
None
A  B   1 ( 2.9A)
None
None
 0.70A 4w5rA-5vm9A:
58.3		 4w5rA-5vm9A:
79.75
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.
5wea PROTEIN ARGONAUTE-2

(Homo sapiens) 		no annotation 5 ASP A 537
ALA A 543
LYS A 570
THR A 852
TYR A 857
 None
None
A  B   1 ( 4.0A)
None
None
 0.60A 4w5rA-5weaA:
58.0		 4w5rA-5weaA:
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.
5wtf VP1

(Hepatovirus A) 		PF12944
(HAV_VP) 		4 ASP A  57
ALA A  61
THR A  54
THR A  53
 None
 1.33A 4w5rA-5wtfA:
undetectable		 4w5rA-5wtfA:
13.79
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.
5xmd EPOXIDE HYDROLASE A

(Vigna radiata) 		no annotation 4 ASP A 261
ALA A 297
THR A 267
TYR A 266
 None
 1.43A 4w5rA-5xmdA:
undetectable		 4w5rA-5xmdA:
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.
5yl7 PSEUDOALTEROMONAS
ARCTICA PAMC 21717

(Pseudoalteromonas
arctica) 		no annotation 4 ASP A 193
ALA A 263
THR A 405
TYR A 418
 CA  A 801 (-2.2A)
None
None
None
 1.41A 4w5rA-5yl7A:
2.6		 4w5rA-5yl7A:
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.
5z9y THIAZOLE SYNTHASE

(Mycobacterium
tuberculosis) 		no annotation 4 ASP A 136
ALA A 140
THR A 134
THR A 133
 None
 1.45A 4w5rA-5z9yA:
undetectable		 4w5rA-5z9yA:
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.
6c7v -

(-) 		no annotation 4 LYS A 146
THR A 104
THR A 142
TYR A 143
 None
 1.44A 4w5rA-6c7vA:
undetectable		 4w5rA-6c7vA:
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.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 4 ASP A 461
ALA A 398
THR A 425
TYR A 396
 None
 0.95A 4w5rA-6f91A:
undetectable		 4w5rA-6f91A:
undetectable