SIMILAR PATTERNS OF AMINO ACIDS FOR 2A3A_A_TEPA1435

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.
1bii MHC CLASS I H-2DD

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 167
GLU A  63
TYR A  59
 None
 0.94A 2a3aA-1biiA:
undetectable		 2a3aA-1biiA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c8n COAT PROTEIN

(unidentified
tobacco
necrosis virus) 		PF00729
(Viral_coat) 		3 TRP A 121
GLU A  95
TYR A 262
 None
 1.11A 2a3aA-1c8nA:
undetectable		 2a3aA-1c8nA:
21.38
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.
1ddh MHC CLASS I H-2DD
HEAVY CHAIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 167
GLU A  63
TYR A  59
 None
 0.98A 2a3aA-1ddhA:
undetectable		 2a3aA-1ddhA:
20.09
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.
1e6z CHITINASE B

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		3 TRP A  97
GLU A 144
TYR A 145
 NAG  A 503 ( 3.7A)
NGO  A 502 (-3.4A)
None
 0.36A 2a3aA-1e6zA:
12.3		 2a3aA-1e6zA:
28.14
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.
1fbw ENDO-1,4-BETA-GLUCAN
ASE F

([Clostridium]
cellulolyticum) 		PF02011
(Glyco_hydro_48) 		3 TRP A 241
GLU A 424
TYR A 507
 None
 1.22A 2a3aA-1fbwA:
undetectable		 2a3aA-1fbwA:
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.
1gz4 NAD-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		3 TRP A 558
GLU A  93
TYR A  97
 None
 1.24A 2a3aA-1gz4A:
undetectable		 2a3aA-1gz4A:
21.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		3 TRP A  99
GLU A 140
TYR A 141
 NAA  A1390 ( 4.3A)
AMI  A1388 ( 3.3A)
NAA  A1390 (-4.5A)
 0.48A 2a3aA-1hkkA:
14.0		 2a3aA-1hkkA:
30.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		3 TRP A 164
GLU A 204
TYR A 205
 None
GOL  A1007 (-3.7A)
None
 0.37A 2a3aA-1itxA:
16.8		 2a3aA-1itxA:
33.95
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.
1kc8 RIBOSOMAL PROTEIN
L18

(Haloarcula
marismortui) 		PF17144
(Ribosomal_L5e) 		3 TRP O 139
GLU O 120
TYR O  82
 None
 1.26A 2a3aA-1kc8O:
undetectable		 2a3aA-1kc8O:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 TRP A  37
GLU A 318
TYR A 314
 None
ZN  A 438 (-2.0A)
None
 0.88A 2a3aA-1mwoA:
5.6		 2a3aA-1mwoA:
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.
1o4z BETA-AGARASE B

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		3 TRP A 233
GLU A 189
TYR A 191
 None
EPE  A2002 (-3.0A)
None
 1.23A 2a3aA-1o4zA:
undetectable		 2a3aA-1o4zA:
20.77
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.
1ral 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		3 TRP A 227
GLU A 192
TYR A 216
 None
 0.73A 2a3aA-1ralA:
9.2		 2a3aA-1ralA:
20.95
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.
1s7s H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, K-B ALPHA
CHAIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 167
GLU A  63
TYR A  59
 None
 1.03A 2a3aA-1s7sA:
undetectable		 2a3aA-1s7sA:
21.87
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.
1s7u H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, D-B ALPHA
CHAIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 167
GLU A  63
TYR A  59
 None
 0.87A 2a3aA-1s7uA:
undetectable		 2a3aA-1s7uA:
23.09
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.
1sxe TRANSCRIPTIONAL
REGULATOR ERG

(Homo sapiens) 		PF02198
(SAM_PNT) 		3 TRP A 142
GLU A 149
TYR A 150
 None
 1.24A 2a3aA-1sxeA:
undetectable		 2a3aA-1sxeA:
11.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		3 TRP A  99
GLU A 140
TYR A 141
 None
 0.44A 2a3aA-1wb0A:
14.5		 2a3aA-1wb0A:
30.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wno CHITINASE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		3 TRP A  99
GLU A 139
TYR A 140
 None
 0.80A 2a3aA-1wnoA:
69.7		 2a3aA-1wnoA:
99.75
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.
1y89 DEVB PROTEIN

(Vibrio cholerae) 		PF01182
(Glucosamine_iso) 		3 TRP A 134
GLU A 226
TYR A 228
 None
 1.26A 2a3aA-1y89A:
undetectable		 2a3aA-1y89A:
19.91
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.
1yt3 RIBONUCLEASE D

(Escherichia
coli) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		3 TRP A 116
GLU A 124
TYR A 125
 None
 1.23A 2a3aA-1yt3A:
undetectable		 2a3aA-1yt3A:
21.15
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.
1zvs MHC CLASS I ANTIGEN

(Macaca mulatta) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 167
GLU A  63
TYR A  59
 None
 1.01A 2a3aA-1zvsA:
undetectable		 2a3aA-1zvsA:
20.59
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.
2iuy GLYCOSYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00534
(Glycos_transf_1) 		3 TRP A  44
GLU A 270
TYR A 162
 None
 1.05A 2a3aA-2iuyA:
undetectable		 2a3aA-2iuyA:
20.44
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.
2ol3 ALLOGENEIC H-2KBM8
MHC CLASS I MOLECULE

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP H 167
GLU H  63
TYR H  59
 None
 0.81A 2a3aA-2ol3H:
undetectable		 2a3aA-2ol3H:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0t PUTATIVE
GAMMA-CARBOXYMUCONOL
ACTONE DECARBOXYLASE
SUBUNIT

(Paraburkholderia
xenovorans) 		PF02627
(CMD) 		3 TRP A 178
GLU A 189
TYR A 217
 None
 0.99A 2a3aA-2q0tA:
undetectable		 2a3aA-2q0tA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qri H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN K-B ALPHA
CHAIN, BETA-2
MICROGLOBULIN,
OVALBUMIN-DERIVED
PEPTIDE

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 167
GLU A  63
TYR A  59
 None
 0.89A 2a3aA-2qriA:
undetectable		 2a3aA-2qriA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rgj FLAVIN-CONTAINING
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		3 TRP A 300
GLU A 351
TYR A 350
 None
 0.96A 2a3aA-2rgjA:
undetectable		 2a3aA-2rgjA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vq0 COAT PROTEIN

(Sesbania mosaic
virus) 		PF00729
(Viral_coat) 		3 TRP A 107
GLU A  81
TYR A 254
 None
 1.05A 2a3aA-2vq0A:
undetectable		 2a3aA-2vq0A:
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.
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo sapiens) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 TRP A 442
GLU A 365
TYR A 426
 None
 0.97A 2a3aA-2wd9A:
undetectable		 2a3aA-2wd9A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xfx MHC CLASS 1

(Bos taurus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 167
GLU A  63
TYR A  59
 None
 1.09A 2a3aA-2xfxA:
undetectable		 2a3aA-2xfxA:
19.46
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.
2xly CLOQ

(Streptomyces
roseochromogenus) 		PF11468
(PTase_Orf2) 		3 TRP A 269
GLU A 205
TYR A 209
 None
 1.05A 2a3aA-2xlyA:
undetectable		 2a3aA-2xlyA:
22.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ybu ACIDIC MAMMALIAN
CHITINASE

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		3 TRP A  99
GLU A 140
TYR A 141
 CX9  A1399 ( 3.4A)
CX9  A1398 (-3.7A)
None
 0.56A 2a3aA-2ybuA:
11.5		 2a3aA-2ybuA:
31.82
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.
3bew MAJOR
HISTOCOMPATIBILITY
COMPLEX CLASS I
GLYCOPROTEIN
HAPLOTYPE B21

(Gallus gallus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 164
GLU A  62
TYR A  58
 None
 1.11A 2a3aA-3bewA:
undetectable		 2a3aA-3bewA:
19.04
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.
3bze HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, ALPHA CHAIN
E

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 167
GLU A  63
TYR A  59
 None
 0.91A 2a3aA-3bzeA:
undetectable		 2a3aA-3bzeA:
20.93
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.
3cvw RE11660P

(Drosophila
melanogaster) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		3 TRP A 100
GLU A 193
TYR A 200
 None
 1.11A 2a3aA-3cvwA:
undetectable		 2a3aA-3cvwA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d2u UL18 PROTEIN

(Human
betaherpesvirus
5) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 177
GLU A  66
TYR A  62
 None
 0.96A 2a3aA-3d2uA:
undetectable		 2a3aA-3d2uA:
19.17
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN

(Escherichia
coli) 		PF13247
(Fer4_11)
PF14711
(Nitr_red_bet_C) 		3 TRP B 337
GLU B 442
TYR B 446
 None
 1.10A 2a3aA-3egwB:
undetectable		 2a3aA-3egwB:
21.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g6l CHITINASE

(Clonostachys
rosea) 		PF00704
(Glyco_hydro_18) 		3 TRP A 134
GLU A 174
TYR A 175
 None
 0.49A 2a3aA-3g6lA:
63.8		 2a3aA-3g6lA:
54.52
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.
3gaa UNCHARACTERIZED
PROTEIN TA1441

(Thermoplasma
acidophilum) 		PF09754
(PAC2) 		3 TRP A 113
GLU A  20
TYR A  24
 None
 0.92A 2a3aA-3gaaA:
undetectable		 2a3aA-3gaaA:
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.
3iq0 PUTATIVE RIBOKINASE
II

(Escherichia
coli) 		PF00294
(PfkB) 		3 TRP A 264
GLU A 222
TYR A 234
 None
 1.20A 2a3aA-3iq0A:
undetectable		 2a3aA-3iq0A:
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.
3jts MHC CLASS I
MAMU-A*02

(Macaca mulatta) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 167
GLU A  63
TYR A  59
 None
 0.93A 2a3aA-3jtsA:
undetectable		 2a3aA-3jtsA:
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.
3k1t GLUTAMATE--CYSTEINE
LIGASE GSHA

(Methylobacillus
flagellatus) 		PF08886
(GshA) 		3 TRP A 230
GLU A 270
TYR A 271
 None
 1.19A 2a3aA-3k1tA:
undetectable		 2a3aA-3k1tA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kyo MHC CLASS I ANTIGEN

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 167
GLU A  63
TYR A  59
 None
 1.09A 2a3aA-3kyoA:
undetectable		 2a3aA-3kyoA:
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.
3lmm UNCHARACTERIZED
PROTEIN

(Corynebacterium
diphtheriae) 		PF04326
(AlbA_2)
PF13749
(HATPase_c_4) 		3 TRP A 150
GLU A 163
TYR A 167
 None
 1.11A 2a3aA-3lmmA:
undetectable		 2a3aA-3lmmA:
22.75
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.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 TRP A  37
GLU A 318
TYR A 314
 None
 0.90A 2a3aA-3qgvA:
5.5		 2a3aA-3qgvA:
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.
3rcz SUMO-CONJUGATING
ENZYME UBC9

(Schizosaccharomyces
pombe) 		PF00179
(UQ_con) 		3 TRP B  53
GLU B 145
TYR B 144
 None
 1.25A 2a3aA-3rczB:
undetectable		 2a3aA-3rczB:
16.75
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.
3rl2 HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, A-3 ALPHA
CHAIN

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 167
GLU A  63
TYR A  59
 None
 0.96A 2a3aA-3rl2A:
undetectable		 2a3aA-3rl2A:
20.41
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.
3u24 PUTATIVE LIPOPROTEIN

(Shewanella
oneidensis) 		PF05960
(DUF885) 		3 TRP A 419
GLU A 479
TYR A 306
 None
 1.21A 2a3aA-3u24A:
undetectable		 2a3aA-3u24A:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vj6 H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, D-37 ALPHA
CHAIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 167
GLU A  63
TYR A  59
 None
 0.82A 2a3aA-3vj6A:
undetectable		 2a3aA-3vj6A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w4r CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		3 TRP A 107
GLU A 148
TYR A 149
 None
 0.47A 2a3aA-3w4rA:
11.1		 2a3aA-3w4rA:
25.12
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.
3wl1 CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		3 TRP A 107
GLU A 148
TYR A 149
 NAG  A 505 ( 3.4A)
NAG  A 501 (-2.7A)
None
 0.42A 2a3aA-3wl1A:
11.0		 2a3aA-3wl1A:
27.61
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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		3 TRP A 172
GLU A 148
TYR A 151
 None
 1.26A 2a3aA-3zxsA:
undetectable		 2a3aA-3zxsA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		3 TRP A 215
GLU A 256
TYR A 257
 None
 0.30A 2a3aA-4a5qA:
12.2		 2a3aA-4a5qA:
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.
4asm BETA-AGARASE D

(Zobellia
galactanivorans) 		no annotation 3 TRP B 202
GLU B 160
TYR B 162
 None
PEG  B1361 ( 3.7A)
None
 1.22A 2a3aA-4asmB:
undetectable		 2a3aA-4asmB:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cah DYSFERLIN

(Homo sapiens) 		PF06398
(Pex24p) 		3 TRP B 965
GLU B1031
TYR B1014
 None
 1.09A 2a3aA-4cahB:
undetectable		 2a3aA-4cahB:
12.41
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.
4dws CHI2

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		3 TRP A 308
GLU A 349
TYR A 350
 None
 0.50A 2a3aA-4dwsA:
12.6		 2a3aA-4dwsA:
26.33
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.
4ebj AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE

(Pseudomonas
aeruginosa) 		PF01909
(NTP_transf_2) 		3 TRP A  56
GLU A  15
TYR A  16
 None
 0.76A 2a3aA-4ebjA:
undetectable		 2a3aA-4ebjA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gax AMORPHA-4,11-DIENE
SYNTHASE

(Artemisia annua) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 TRP A  20
GLU A 267
TYR A 532
 None
 1.21A 2a3aA-4gaxA:
undetectable		 2a3aA-4gaxA:
20.80
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.
4lcy HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-46 ALPHA
CHAIN

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 167
GLU A  63
TYR A  59
 None
 1.02A 2a3aA-4lcyA:
undetectable		 2a3aA-4lcyA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4llf CAPSID PROTEIN

(Cucumber
necrosis virus) 		PF00729
(Viral_coat) 		3 TRP A 136
GLU A 100
TYR A 250
 None
 1.09A 2a3aA-4llfA:
undetectable		 2a3aA-4llfA:
23.92
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.
4mru SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		3 TRP A  88
GLU A  83
TYR A 281
 None
 1.15A 2a3aA-4mruA:
undetectable		 2a3aA-4mruA:
22.56
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.
4mym GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Nocardioides
sp. JS614) 		PF00903
(Glyoxalase) 		3 TRP A 112
GLU A 128
TYR A 118
 BTB  A 201 (-3.7A)
BTB  A 201 (-3.0A)
None
 1.19A 2a3aA-4mymA:
undetectable		 2a3aA-4mymA:
18.57
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.
4n0r PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
vulgatus) 		PF13204
(DUF4038)
PF16586
(DUF5060) 		3 TRP A 365
GLU A 354
TYR A 357
 UNL  A 601 ( 3.7A)
UNL  A 601 (-2.8A)
UNL  A 601 ( 4.6A)
 1.25A 2a3aA-4n0rA:
5.5		 2a3aA-4n0rA:
21.83
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.
4o7m TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Shewanella
loihica) 		PF03480
(DctP) 		3 TRP A 218
GLU A 235
TYR A 299
 None
 1.22A 2a3aA-4o7mA:
undetectable		 2a3aA-4o7mA:
23.80
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.
4q0k PHYTOHORMONE BINDING
PROTEIN MTPHBP

(Medicago
truncatula) 		PF00407
(Bet_v_1) 		3 TRP A  19
GLU A  77
TYR A  75
 None
GOL  A 203 (-3.7A)
GOL  A 203 (-4.6A)
 1.23A 2a3aA-4q0kA:
undetectable		 2a3aA-4q0kA:
16.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4q22 GLYCOSIDE HYDROLASE
FAMILY 18

(Serratia
proteamaculans) 		PF00704
(Glyco_hydro_18) 		3 TRP A 114
GLU A 153
TYR A 154
 None
ACT  A 502 (-3.8A)
None
 0.51A 2a3aA-4q22A:
37.7		 2a3aA-4q22A:
30.79
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.
4sbv SOUTHERN BEAN MOSAIC
VIRUS COAT PROTEIN

(Southern bean
mosaic virus) 		PF00729
(Viral_coat) 		3 TRP A  99
GLU A  73
TYR A 246
 None
 1.09A 2a3aA-4sbvA:
undetectable		 2a3aA-4sbvA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		3 TRP A 255
GLU A 314
TYR A 315
 None
CS  A 803 (-2.9A)
None
 0.34A 2a3aA-4txgA:
34.8		 2a3aA-4txgA:
22.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4w5u CHITINASE

(Streptomyces
thermoviolaceus) 		no annotation 3 TRP B 142
GLU B 183
TYR B 184
 MLI  B 501 ( 3.8A)
None
None
 0.48A 2a3aA-4w5uB:
17.0		 2a3aA-4w5uB:
32.60
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.
4x33 DIPHTHAMIDE
BIOSYNTHESIS PROTEIN
3
PROTEIN ATS1

(Saccharomyces
cerevisiae) 		PF00415
(RCC1)
PF05207
(zf-CSL) 		3 TRP B 229
GLU B 271
TYR A   4
 None
 1.14A 2a3aA-4x33B:
undetectable		 2a3aA-4x33B:
21.06
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.
4y5z IMMUNOGLOBULIN
G-BINDING PROTEIN
A,COAT PROTEIN

(Sesbania mosaic
virus;
Staphylococcus
aureus) 		no annotation 3 TRP A 107
GLU A  81
TYR A 254
 None
 1.09A 2a3aA-4y5zA:
undetectable		 2a3aA-4y5zA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zut CLASSICAL MHC CLASS
I ANTIGEN

(Equus caballus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 167
GLU A  63
TYR A  59
 None
 0.97A 2a3aA-4zutA:
undetectable		 2a3aA-4zutA:
21.06
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.
5aee ALPHA-GLUCOSIDASE
YIHQ

(Escherichia
coli) 		PF01055
(Glyco_hydro_31) 		3 TRP A  40
GLU A 214
TYR A 212
 None
 0.92A 2a3aA-5aeeA:
4.7		 2a3aA-5aeeA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ck0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		3 TRP A 577
GLU A 579
TYR A 583
 None
 1.01A 2a3aA-5ck0A:
undetectable		 2a3aA-5ck0A:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cqv UNCHARACTERIZED
PROTEIN

(Streptococcus
agalactiae) 		PF08020
(DUF1706) 		3 TRP A 154
GLU A 155
TYR A 157
 None
 0.98A 2a3aA-5cqvA:
undetectable		 2a3aA-5cqvA:
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.
5f1n MHC CLASS I ANTIGEN

(Canis lupus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 168
GLU A  63
TYR A  59
 None
 1.07A 2a3aA-5f1nA:
undetectable		 2a3aA-5f1nA:
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.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		3 TRP A 596
GLU A 338
TYR A 340
 None
 1.22A 2a3aA-5f7cA:
2.8		 2a3aA-5f7cA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gjy MHC CLASS I ANTIGEN

(Anas
platyrhynchos) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 167
GLU A  65
TYR A  61
 None
 0.96A 2a3aA-5gjyA:
undetectable		 2a3aA-5gjyA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		3 TRP B 652
GLU B 691
TYR B 692
 None
 0.48A 2a3aA-5gztB:
15.7		 2a3aA-5gztB:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		3 TRP B1138
GLU B1177
TYR B1178
 None
 0.44A 2a3aA-5gztB:
15.7		 2a3aA-5gztB:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		3 TRP A 652
GLU A 691
TYR A 692
 None
 0.41A 2a3aA-5gzuA:
11.1		 2a3aA-5gzuA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		3 TRP A1138
GLU A1177
TYR A1178
 None
 0.47A 2a3aA-5gzuA:
11.1		 2a3aA-5gzuA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h3h ABHYDROLASE
DOMAIN-CONTAINING
PROTEIN

(Exiguobacterium
antarcticum) 		PF00561
(Abhydrolase_1)
PF08386
(Abhydrolase_4) 		3 TRP A 176
GLU A  38
TYR A  39
 None
 0.91A 2a3aA-5h3hA:
undetectable		 2a3aA-5h3hA:
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.
5hj3 ENVELOPE
GLYCOPROTEIN

(Ebola virus sp.) 		PF01611
(Filo_glycop) 		3 TRP C  86
GLU C 178
TYR C 109
 None
 1.23A 2a3aA-5hj3C:
undetectable		 2a3aA-5hj3C:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j6g H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, Q10 ALPHA
CHAIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TRP A 167
GLU A  63
TYR A  59
 None
 1.02A 2a3aA-5j6gA:
undetectable		 2a3aA-5j6gA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k79 CYANOVIRIN-N DOMAIN
PROTEIN

(Cyanothece sp.
PCC 7424) 		PF08881
(CVNH) 		3 TRP A  50
GLU A  40
TYR A 107
 None
PEG  A 201 ( 4.5A)
None
 1.26A 2a3aA-5k79A:
undetectable		 2a3aA-5k79A:
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.
5k7f TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Myxococcus
xanthus) 		PF00440
(TetR_N) 		3 TRP A 105
GLU A  20
TYR A  67
 None
 0.88A 2a3aA-5k7fA:
undetectable		 2a3aA-5k7fA:
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.
5kel EBOLA SURFACE
GLYCOPROTEIN, GP1

(Zaire
ebolavirus) 		PF01611
(Filo_glycop) 		3 TRP A  86
GLU A 178
TYR A 109
 None
 1.08A 2a3aA-5kelA:
undetectable		 2a3aA-5kelA:
23.27
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.
5kiq PLATELET-BINDING
GLYCOPROTEIN

(Streptococcus
sanguinis) 		no annotation 3 TRP A 302
GLU A 334
TYR A 368
 None
 0.87A 2a3aA-5kiqA:
undetectable		 2a3aA-5kiqA:
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.
5ks5 EUKARYOTIC
ELONGATION FACTOR 2
KINASE

(Homo sapiens) 		no annotation 3 TRP A 720
GLU A 717
TYR A 713
 None
 1.08A 2a3aA-5ks5A:
undetectable		 2a3aA-5ks5A:
11.09
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.
5lkd GLUTATHIONE
S-TRANSFERASE
OMEGA-LIKE 2

(Saccharomyces
cerevisiae) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		3 TRP A 162
GLU A 133
TYR A 138
 None
 1.07A 2a3aA-5lkdA:
undetectable		 2a3aA-5lkdA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5omm CAPSID PROTEIN

(Norwalk virus) 		PF08435
(Calici_coat_C) 		3 TRP A 381
GLU A 359
TYR A 335
 None
 1.04A 2a3aA-5ommA:
undetectable		 2a3aA-5ommA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t9x GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 3 TRP A 237
GLU A 193
TYR A 195
 None
IMD  A 402 (-3.6A)
None
 1.23A 2a3aA-5t9xA:
undetectable		 2a3aA-5t9xA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u8z CAROTENOID OXYGENASE
1

(Neurospora
crassa) 		PF03055
(RPE65) 		3 TRP A 278
GLU A 165
TYR A 212
 None
83D  A 602 (-3.7A)
None
 1.26A 2a3aA-5u8zA:
undetectable		 2a3aA-5u8zA:
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.
5va3 POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY H
MEMBER 2

(Homo sapiens) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF13426
(PAS_9) 		3 TRP A 412
GLU A 544
TYR A 545
 None
 1.06A 2a3aA-5va3A:
undetectable		 2a3aA-5va3A:
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.
5x2o TASTE RECEPTOR, TYPE
1, MEMBER 3

(Oryzias latipes) 		PF01094
(ANF_receptor) 		3 TRP B  23
GLU B  85
TYR B  81
 None
 1.26A 2a3aA-5x2oB:
undetectable		 2a3aA-5x2oB:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xwq FUNGAL CHITINASE
FROM RHIZOMUCOR
MIEHEI (NATIVE
PROTEIN)

(Rhizomucor
miehei) 		no annotation 3 TRP A 142
GLU A 182
TYR A 183
 None
 0.38A 2a3aA-5xwqA:
10.6		 2a3aA-5xwqA:
10.58
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.
5y29 INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 3 TRP A1691
GLU A1733
TYR A1734
 None
 0.56A 2a3aA-5y29A:
43.4		 2a3aA-5y29A:
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.
5y2a INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 3 TRP A2138
GLU A2180
TYR A2181
 None
 0.47A 2a3aA-5y2aA:
11.9		 2a3aA-5y2aA:
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.
6bn2 ACETYL-COA
ACETYLTRANSFERASE

(Elizabethkingia
anophelis) 		no annotation 3 TRP A 287
GLU A 166
TYR A 167
 GOL  A 405 (-3.8A)
None
GOL  A 405 (-4.9A)
 1.23A 2a3aA-6bn2A:
undetectable		 2a3aA-6bn2A:
10.59
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.
6eub ANGIOPOIETIN-RELATED
PROTEIN 4

(Homo sapiens) 		no annotation 3 TRP A 241
GLU A 296
TYR A 300
 None
 1.11A 2a3aA-6eubA:
undetectable		 2a3aA-6eubA:
10.49
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 3 TRP A2753
GLU A2757
TYR A2770
 None
 1.19A 2a3aA-6fb3A:
undetectable		 2a3aA-6fb3A:
13.35