SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2PE'


List of Similar Pattern of Amino Acids


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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
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.
1FPQ_A_SAMA1699_0
(ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE)
3hdb AAHIV
(Deinagkistrodon
acutus)
5 / 10 GLY A 405
ASN A 229
ASP A 416
ASP A 429
ASN A 422
2PE  A 652 ( 4.6A)
2PE  A 652 (-3.5A)
CA  A 622 (-3.3A)
None
None
1.48A 1fpqA-3hdbA:
undetectable
1fpqA-3hdbA:
20.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H60_A_STRA500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum)
6 / 9 THR A  37
TYR A  78
HIS A 187
HIS A 190
TYR A 192
TYR A 358
2PE  A 503 ( 3.4A)
2PE  A 503 (-3.4A)
FMN  A 501 (-3.7A)
2PE  A 503 (-4.2A)
2PE  A 503 (-4.9A)
FMN  A 501 ( 3.9A)
0.49A 1h60A-1icpA:
52.6
1h60A-1icpA:
41.95
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.
1K2S_B_H4BB2760_1
(NITRIC-OXIDE
SYNTHASE)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 6 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.45A 1k2sA-3lewA:
undetectable
1k2sB-3lewA:
0.0
1k2sA-3lewA:
19.56
1k2sB-3lewA:
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.
1P6J_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 ARG A 215
VAL A 363
TRP A 275
GLU A 274
2PE  A   4 ( 4.6A)
None
None
None
1.44A 1p6jA-3lewA:
undetectable
1p6jB-3lewA:
undetectable
1p6jA-3lewA:
19.36
1p6jB-3lewA:
19.36
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.
1P6J_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.43A 1p6jA-3lewA:
undetectable
1p6jB-3lewA:
undetectable
1p6jA-3lewA:
19.36
1p6jB-3lewA:
19.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ABA_A_STRA1500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum)
6 / 9 THR A  37
TYR A  78
HIS A 187
HIS A 190
TYR A 192
TYR A 358
2PE  A 503 ( 3.4A)
2PE  A 503 (-3.4A)
FMN  A 501 (-3.7A)
2PE  A 503 (-4.2A)
2PE  A 503 (-4.9A)
FMN  A 501 ( 3.9A)
0.46A 2abaA-1icpA:
52.6
2abaA-1icpA:
41.95
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.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)
4df9 PUTATIVE PEPTIDASE
(Bacteroides
fragilis)
5 / 12 HIS A 311
GLU A 312
HIS A 315
TYR A 326
TYR A 324
ZN  A 502 ( 3.2A)
2PE  A 504 (-4.1A)
ZN  A 502 (-3.3A)
2PE  A 504 (-4.1A)
2PE  A 504 (-3.8A)
0.94A 2c6nA-4df9A:
2.8
2c6nA-4df9A:
21.95
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.
2HX4_B_H4BB760_1
(NITRIC-OXIDE
SYNTHASE)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.45A 2hx4A-3lewA:
undetectable
2hx4B-3lewA:
undetectable
2hx4A-3lewA:
19.36
2hx4B-3lewA:
19.36
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.
3CCF_A_BEZA261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum)
4 / 8 GLY A 191
ASN A 247
TRP A 112
TYR A 246
None
None
None
2PE  A 503 ( 4.1A)
1.24A 3ccfA-1icpA:
undetectable
3ccfA-1icpA:
21.43
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.
3CCF_B_BEZB261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)
4ohx PROTEIN CLPF-1
(Caenorhabditis
elegans)
4 / 8 ILE A 133
PHE A  60
TYR A 137
ARG A 140
None
None
2PE  A 503 (-3.7A)
2PE  A 503 ( 4.1A)
1.20A 3ccfB-4ohxA:
undetectable
3ccfB-4ohxA:
22.12
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.
3ETE_C_H3PC552_1
(GLUTAMATE
DEHYDROGENASE)
4jxr ACETYLTRANSFERASE
(Sinorhizobium
meliloti)
3 / 3 TYR A 178
TYR A 183
GLY A  52
2PE  A 202 (-3.4A)
None
2PE  A 202 (-3.6A)
0.66A 3eteB-4jxrA:
undetectable
3eteD-4jxrA:
undetectable
3eteF-4jxrA:
undetectable
3eteB-4jxrA:
16.84
3eteD-4jxrA:
16.84
3eteF-4jxrA:
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.
3KEC_B_HAEB271_1
(COLLAGENASE 3)
4df9 PUTATIVE PEPTIDASE
(Bacteroides
fragilis)
3 / 3 HIS A 311
GLU A 312
HIS A 315
ZN  A 502 ( 3.2A)
2PE  A 504 (-4.1A)
ZN  A 502 (-3.3A)
0.18A 3kecB-4df9A:
5.7
3kecB-4df9A:
18.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXT_B_MTXB2000_1
(ANTI-METHOTREXATE
CDR1-3 GRAFT VHH)
4x8j 12F4 FAB HEAVY CHAIN
(Mus
musculus)
6 / 12 VAL H   2
LEU H   4
MET H  34
ARG H  74
VAL H  81
TYR H 104
None
None
None
None
None
2PE  H 302 ( 4.6A)
0.65A 3qxtB-4x8jH:
15.8
3qxtB-4x8jH:
34.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXV_B_MTXB2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)
4x8j 12F4 FAB HEAVY CHAIN
(Mus
musculus)
5 / 12 VAL H   2
MET H  34
ARG H  74
VAL H  81
TYR H 104
None
None
None
None
2PE  H 302 ( 4.6A)
0.83A 3qxvB-4x8jH:
15.4
3qxvB-4x8jH:
33.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXV_D_MTXD2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)
4x8j 12F4 FAB HEAVY CHAIN
(Mus
musculus)
5 / 12 VAL H   2
MET H  34
ARG H  74
VAL H  81
TYR H 104
None
None
None
None
2PE  H 302 ( 4.6A)
0.67A 3qxvD-4x8jH:
15.5
3qxvD-4x8jH:
33.82
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.
3TBG_C_RTZC2_1
(CYTOCHROME P450 2D6)
4df9 PUTATIVE PEPTIDASE
(Bacteroides
fragilis)
5 / 10 THR A 250
LEU A 297
GLU A 312
LEU A  94
PHE A 251
None
None
2PE  A 504 (-4.1A)
None
None
1.46A 3tbgC-4df9A:
undetectable
3tbgC-4df9A:
21.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UPW_A_NCAA412_0
(OLD YELLOW ENZYME
2.6 (OYE2.6), NADPH
DEHYDROGENASE)
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum)
6 / 9 THR A  37
ALA A  68
HIS A 187
HIS A 190
TYR A 192
TYR A 358
2PE  A 503 ( 3.4A)
FMN  A 501 (-3.1A)
FMN  A 501 (-3.7A)
2PE  A 503 (-4.2A)
2PE  A 503 (-4.9A)
FMN  A 501 ( 3.9A)
0.32A 3upwA-1icpA:
47.8
3upwA-1icpA:
36.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A3U_A_NCAA1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum)
5 / 7 THR A  37
TRP A 112
HIS A 187
TYR A 192
TYR A 358
2PE  A 503 ( 3.4A)
None
FMN  A 501 (-3.7A)
2PE  A 503 (-4.9A)
FMN  A 501 ( 3.9A)
0.38A 4a3uA-1icpA:
53.1
4a3uA-1icpA:
38.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A3U_B_NCAB1359_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum)
5 / 7 THR A  37
TRP A 112
HIS A 187
TYR A 192
TYR A 358
2PE  A 503 ( 3.4A)
None
FMN  A 501 (-3.7A)
2PE  A 503 (-4.9A)
FMN  A 501 ( 3.9A)
0.33A 4a3uB-1icpA:
53.3
4a3uB-1icpA:
38.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum)
4 / 7 THR A  37
TRP A 112
HIS A 187
TYR A 192
2PE  A 503 ( 3.4A)
None
FMN  A 501 (-3.7A)
2PE  A 503 (-4.9A)
0.37A 4awuA-1icpA:
52.7
4awuA-1icpA:
39.01
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.
4D2Z_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 ARG A 215
VAL A 363
TRP A 275
GLU A 274
2PE  A   4 ( 4.6A)
None
None
None
1.45A 4d2zA-3lewA:
undetectable
4d2zB-3lewA:
undetectable
4d2zA-3lewA:
19.36
4d2zB-3lewA:
19.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum)
5 / 6 THR A  37
HIS A 187
HIS A 190
TYR A 192
TYR A 358
2PE  A 503 ( 3.4A)
FMN  A 501 (-3.7A)
2PE  A 503 (-4.2A)
2PE  A 503 (-4.9A)
FMN  A 501 ( 3.9A)
0.32A 4df2A-1icpA:
47.8
4df2A-1icpA:
36.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum)
5 / 6 TYR A  78
HIS A 187
HIS A 190
TYR A 192
TYR A 358
2PE  A 503 (-3.4A)
FMN  A 501 (-3.7A)
2PE  A 503 (-4.2A)
2PE  A 503 (-4.9A)
FMN  A 501 ( 3.9A)
0.84A 4df2A-1icpA:
47.8
4df2A-1icpA:
36.74
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.
4FEV_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
3hdb AAHIV
(Deinagkistrodon
acutus)
4 / 7 ASP A 416
ASN A 229
GLU A 233
GLU A 410
CA  A 622 (-3.3A)
2PE  A 652 (-3.5A)
2PE  A 652 (-4.1A)
CA  A 622 (-3.3A)
1.20A 4fevB-3hdbA:
undetectable
4fevB-3hdbA:
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.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
3hdb AAHIV
(Deinagkistrodon
acutus)
4 / 7 ASP A 416
ASN A 229
GLU A 233
GLU A 410
CA  A 622 (-3.3A)
2PE  A 652 (-3.5A)
2PE  A 652 (-4.1A)
CA  A 622 (-3.3A)
1.21A 4fewB-3hdbA:
undetectable
4fewB-3hdbA:
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.
4JSH_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 6 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.39A 4jshA-3lewA:
undetectable
4jshB-3lewA:
undetectable
4jshA-3lewA:
19.36
4jshB-3lewA:
19.36
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.
4KCI_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.43A 4kciA-3lewA:
undetectable
4kciB-3lewA:
undetectable
4kciA-3lewA:
19.36
4kciB-3lewA:
19.36
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.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)
4df9 PUTATIVE PEPTIDASE
(Bacteroides
fragilis)
4 / 7 PRO A 341
TYR A 324
GLU A 323
TYR A 386
None
2PE  A 504 (-3.8A)
ZN  A 503 (-2.5A)
2PE  A 504 (-3.9A)
1.10A 4lb2A-4df9A:
undetectable
4lb2A-4df9A:
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.
4MDB_A_RLTA401_1
(MARINER MOS1
TRANSPOSASE)
3nyy PUTATIVE
GLYCYL-GLYCINE
ENDOPEPTIDASE LYTM

([Ruminococcus]
gnavus)
4 / 6 ASN A 162
ALA A 159
TYR A 167
ASP A 206
2PE  A 282 ( 3.9A)
None
None
None
1.19A 4mdbA-3nyyA:
undetectable
4mdbA-3nyyA:
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.
4QYQ_A_3CJA607_1
(LACTOPEROXIDASE)
3p77 MHC RFP-Y CLASS I
ALPHA CHAIN

(Gallus
gallus)
3 / 3 GLN A  61
HIS A  57
ARG A 167
2PE  A 279 (-4.6A)
None
None
0.64A 4qyqA-3p77A:
undetectable
4qyqA-3p77A:
18.66
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.
4QYQ_B_3CJB607_1
(LACTOPEROXIDASE)
3p77 MHC RFP-Y CLASS I
ALPHA CHAIN

(Gallus
gallus)
3 / 3 GLN A  61
HIS A  57
ARG A 167
2PE  A 279 (-4.6A)
None
None
0.67A 4qyqB-3p77A:
undetectable
4qyqB-3p77A:
18.66
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.
4UGZ_A_H4BA760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 6 ARG A 215
VAL A 363
TRP A 275
GLU A 274
2PE  A   4 ( 4.6A)
None
None
None
1.43A 4ugzA-3lewA:
undetectable
4ugzB-3lewA:
undetectable
4ugzA-3lewA:
19.36
4ugzB-3lewA:
19.36
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.
4UH0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 ARG A 215
VAL A 363
TRP A 275
GLU A 274
2PE  A   4 ( 4.6A)
None
None
None
1.43A 4uh0A-3lewA:
undetectable
4uh0B-3lewA:
undetectable
4uh0A-3lewA:
19.36
4uh0B-3lewA:
19.36
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.
4UH0_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.43A 4uh0A-3lewA:
undetectable
4uh0B-3lewA:
undetectable
4uh0A-3lewA:
19.36
4uh0B-3lewA:
19.36
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.
4UPN_A_H4BA760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 ARG A 215
VAL A 363
TRP A 275
GLU A 274
2PE  A   4 ( 4.6A)
None
None
None
1.42A 4upnA-3lewA:
undetectable
4upnB-3lewA:
undetectable
4upnA-3lewA:
19.36
4upnB-3lewA:
19.36
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.
4X1I_D_LOCD502_1
(TUBULIN BETA CHAIN)
3nyy PUTATIVE
GLYCYL-GLYCINE
ENDOPEPTIDASE LYTM

([Ruminococcus]
gnavus)
5 / 12 LYS A 251
LEU A 250
ALA A 113
ALA A 194
ILE A 114
2PE  A 281 (-2.9A)
None
None
None
None
1.04A 4x1iD-3nyyA:
undetectable
4x1iD-3nyyA:
20.68
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.
4XUC_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum)
5 / 12 ASN A 247
GLY A 188
TYR A 246
ILE A 238
ILE A 223
None
None
2PE  A 503 ( 4.1A)
None
None
1.39A 4xucA-1icpA:
undetectable
4xucA-1icpA:
20.32
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.
4ZE2_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
4pcw FILAGGRIN
(Homo
sapiens)
5 / 12 LEU A  80
ILE A  10
PHE A  40
LEU A  60
HIS A  59
2PE  A 103 (-4.3A)
None
None
2PE  A 103 ( 4.9A)
None
0.97A 4ze2A-4pcwA:
undetectable
4ze2A-4pcwA:
13.40
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.
5AD5_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 ARG A 215
VAL A 363
TRP A 275
GLU A 274
2PE  A   4 ( 4.6A)
None
None
None
1.43A 5ad5A-3lewA:
undetectable
5ad5B-3lewA:
undetectable
5ad5A-3lewA:
19.36
5ad5B-3lewA:
19.36
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.
5AD6_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.42A 5ad6A-3lewA:
undetectable
5ad6B-3lewA:
0.0
5ad6A-3lewA:
19.36
5ad6B-3lewA:
19.36
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.
5AD7_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 6 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.41A 5ad7A-3lewA:
undetectable
5ad7B-3lewA:
undetectable
5ad7A-3lewA:
19.36
5ad7B-3lewA:
19.36
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.
5AD8_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 6 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.41A 5ad8A-3lewA:
0.0
5ad8B-3lewA:
0.0
5ad8A-3lewA:
19.36
5ad8B-3lewA:
19.36
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.
5ADA_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 ARG A 215
VAL A 363
TRP A 275
GLU A 274
2PE  A   4 ( 4.6A)
None
None
None
1.41A 5adaA-3lewA:
undetectable
5adaB-3lewA:
0.0
5adaA-3lewA:
19.36
5adaB-3lewA:
19.36
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.
5FSA_A_X2NA590_1
(CYP51 VARIANT1)
4pcw FILAGGRIN
(Homo
sapiens)
5 / 12 LEU A  80
ILE A  10
PHE A  40
LEU A  60
HIS A  59
2PE  A 103 (-4.3A)
None
None
2PE  A 103 ( 4.9A)
None
1.04A 5fsaA-4pcwA:
undetectable
5fsaA-4pcwA:
11.16
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.
5I3B_B_HQEB303_1
(TYROSINASE)
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum)
4 / 5 HIS A 190
HIS A 274
VAL A 276
ALA A 307
2PE  A 503 (-4.2A)
None
None
FMN  A 501 ( 4.1A)
0.98A 5i3bB-1icpA:
undetectable
5i3bB-1icpA:
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.
5OV9_A_CVIA609_0
(ACETYLCHOLINESTERASE)
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum)
4 / 6 TYR A  78
ASP A 147
HIS A 150
TYR A 246
2PE  A 503 (-3.4A)
None
None
2PE  A 503 ( 4.1A)
1.27A 5ov9A-1icpA:
3.0
5ov9A-1icpA:
22.81
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.
5UNR_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.42A 5unrA-3lewA:
undetectable
5unrB-3lewA:
undetectable
5unrA-3lewA:
19.36
5unrB-3lewA:
19.36
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.
5UNS_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.42A 5unsA-3lewA:
undetectable
5unsB-3lewA:
undetectable
5unsA-3lewA:
19.36
5unsB-3lewA:
19.36
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.
5UNU_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 ARG A 215
VAL A 363
TRP A 275
GLU A 274
2PE  A   4 ( 4.6A)
None
None
None
1.40A 5unuA-3lewA:
undetectable
5unuB-3lewA:
0.0
5unuA-3lewA:
19.36
5unuB-3lewA:
19.36
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.
5UNU_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.36A 5unuA-3lewA:
undetectable
5unuB-3lewA:
0.0
5unuA-3lewA:
19.36
5unuB-3lewA:
19.36
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.
5UNV_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 6 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.45A 5unvA-3lewA:
undetectable
5unvB-3lewA:
0.0
5unvA-3lewA:
19.36
5unvB-3lewA:
19.36
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.
5UNW_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 ARG A 215
VAL A 363
TRP A 275
GLU A 274
2PE  A   4 ( 4.6A)
None
None
None
1.42A 5unwA-3lewA:
undetectable
5unwB-3lewA:
0.0
5unwA-3lewA:
19.36
5unwB-3lewA:
19.36
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.
5UNZ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.38A 5unzA-3lewA:
undetectable
5unzB-3lewA:
undetectable
5unzA-3lewA:
19.36
5unzB-3lewA:
19.36
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.
5UO0_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.32A 5uo0A-3lewA:
undetectable
5uo0B-3lewA:
undetectable
5uo0A-3lewA:
19.36
5uo0B-3lewA:
19.36
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.
5UO2_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 ARG A 215
VAL A 363
TRP A 275
GLU A 274
2PE  A   4 ( 4.6A)
None
None
None
1.42A 5uo2A-3lewA:
undetectable
5uo2B-3lewA:
undetectable
5uo2A-3lewA:
20.08
5uo2B-3lewA:
20.08
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.
5UO3_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 ARG A 215
VAL A 363
TRP A 275
GLU A 274
2PE  A   4 ( 4.6A)
None
None
None
1.41A 5uo3A-3lewA:
undetectable
5uo3B-3lewA:
undetectable
5uo3A-3lewA:
20.08
5uo3B-3lewA:
20.08
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.
5UO3_B_H4BB803_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.43A 5uo3A-3lewA:
undetectable
5uo3B-3lewA:
undetectable
5uo3A-3lewA:
20.08
5uo3B-3lewA:
20.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V4V_A_NCAA402_0
(NADPH DEHYDROGENASE
3)
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum)
5 / 8 THR A  37
TRP A 112
HIS A 187
TYR A 192
TYR A 358
2PE  A 503 ( 3.4A)
None
FMN  A 501 (-3.7A)
2PE  A 503 (-4.9A)
FMN  A 501 ( 3.9A)
0.53A 5v4vA-1icpA:
49.8
5v4vA-1icpA:
38.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V4V_B_NCAB402_0
(NADPH DEHYDROGENASE
3)
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum)
5 / 8 THR A  37
TRP A 112
HIS A 187
TYR A 192
TYR A 358
2PE  A 503 ( 3.4A)
None
FMN  A 501 (-3.7A)
2PE  A 503 (-4.9A)
FMN  A 501 ( 3.9A)
0.52A 5v4vB-1icpA:
49.8
5v4vB-1icpA:
38.99
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.
5VUI_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 ARG A 215
VAL A 363
TRP A 275
GLU A 274
2PE  A   4 ( 4.6A)
None
None
None
1.44A 5vuiA-3lewA:
undetectable
5vuiB-3lewA:
undetectable
5vuiA-3lewA:
19.36
5vuiB-3lewA:
19.36
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.
5VUI_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.40A 5vuiA-3lewA:
undetectable
5vuiB-3lewA:
undetectable
5vuiA-3lewA:
19.36
5vuiB-3lewA:
19.36
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.
5VUO_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.41A 5vuoA-3lewA:
undetectable
5vuoB-3lewA:
undetectable
5vuoA-3lewA:
19.36
5vuoB-3lewA:
19.36
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.
5VUQ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.42A 5vuqA-3lewA:
undetectable
5vuqB-3lewA:
undetectable
5vuqA-3lewA:
19.36
5vuqB-3lewA:
19.36
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.
5VUR_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.39A 5vurA-3lewA:
undetectable
5vurB-3lewA:
undetectable
5vurA-3lewA:
19.36
5vurB-3lewA:
19.36
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.
5VUS_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 ARG A 215
VAL A 363
TRP A 275
GLU A 274
2PE  A   4 ( 4.6A)
None
None
None
1.43A 5vusA-3lewA:
undetectable
5vusB-3lewA:
undetectable
5vusA-3lewA:
19.36
5vusB-3lewA:
19.36
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.
5VUS_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.41A 5vusA-3lewA:
undetectable
5vusB-3lewA:
undetectable
5vusA-3lewA:
19.36
5vusB-3lewA:
19.36
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.
5VUU_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 ARG A 215
VAL A 363
TRP A 275
GLU A 274
2PE  A   4 ( 4.6A)
None
None
None
1.41A 5vuuA-3lewA:
undetectable
5vuuB-3lewA:
0.0
5vuuA-3lewA:
19.36
5vuuB-3lewA:
19.36
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.
5VV5_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 ARG A 215
VAL A 363
TRP A 275
GLU A 274
2PE  A   4 ( 4.6A)
None
None
None
1.42A 5vv5A-3lewA:
undetectable
5vv5B-3lewA:
undetectable
5vv5A-3lewA:
20.08
5vv5B-3lewA:
20.08
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.
6AUT_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.43A 6autA-3lewA:
undetectable
6autB-3lewA:
undetectable
6autA-3lewA:
9.81
6autB-3lewA:
9.81
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.
6AUX_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 ARG A 215
VAL A 363
TRP A 275
GLU A 274
2PE  A   4 ( 4.6A)
None
None
None
1.42A 6auxA-3lewA:
undetectable
6auxB-3lewA:
undetectable
6auxA-3lewA:
9.81
6auxB-3lewA:
9.81
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.
6AUX_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.40A 6auxA-3lewA:
undetectable
6auxB-3lewA:
undetectable
6auxA-3lewA:
9.81
6auxB-3lewA:
9.81
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.
6AV5_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 ARG A 215
VAL A 363
TRP A 275
GLU A 274
2PE  A   4 ( 4.6A)
None
None
None
1.43A 6av5A-3lewA:
0.0
6av5B-3lewA:
undetectable
6av5A-3lewA:
10.19
6av5B-3lewA:
10.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AV5_B_H4BB803_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus)
4 / 7 TRP A 275
GLU A 274
ARG A 215
VAL A 363
None
None
2PE  A   4 ( 4.6A)
None
1.42A 6av5A-3lewA:
0.0
6av5B-3lewA:
undetectable
6av5A-3lewA:
10.19
6av5B-3lewA:
10.19