SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'TOE'


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.
1H7X_A_URFA1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 2xdr BETAINE ALDEHYDE
DEHYDROGENASE
(Pseudomonas
aeruginosa) 		4 / 6 ASN A 465
ILE A 158
SER A 226
THR A 469
 None
TOE  A1492 (-4.4A)
None
None
 1.24A 1h7xA-2xdrA:
undetectable		 1h7xA-2xdrA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H7X_B_URFB1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 2xdr BETAINE ALDEHYDE
DEHYDROGENASE
(Pseudomonas
aeruginosa) 		4 / 6 ASN A 465
ILE A 158
SER A 226
THR A 469
 None
TOE  A1492 (-4.4A)
None
None
 1.26A 1h7xB-2xdrA:
undetectable		 1h7xB-2xdrA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H7X_C_URFC1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 2xdr BETAINE ALDEHYDE
DEHYDROGENASE
(Pseudomonas
aeruginosa) 		4 / 6 ASN A 465
ILE A 158
SER A 226
THR A 469
 None
TOE  A1492 (-4.4A)
None
None
 1.25A 1h7xC-2xdrA:
undetectable		 1h7xC-2xdrA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H7X_D_URFD1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 2xdr BETAINE ALDEHYDE
DEHYDROGENASE
(Pseudomonas
aeruginosa) 		4 / 6 ASN A 465
ILE A 158
SER A 226
THR A 469
 None
TOE  A1492 (-4.4A)
None
None
 1.25A 1h7xD-2xdrA:
2.6		 1h7xD-2xdrA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q0Y_H_MOIH401_1
(FAB 9B1, HEAVY CHAIN
FAB 9B1, LIGHT CHAIN)		 4arv PHYTASE
(Yersinia
kristensenii) 		4 / 7 GLU A 339
ILE A 378
TRP A 341
LEU A 394
 None
None
TOE  A1420 ( 3.9A)
TOE  A1420 ( 4.9A)
 1.41A 1q0yH-4arvA:
undetectable
1q0yL-4arvA:
undetectable		 1q0yH-4arvA:
18.51
1q0yL-4arvA:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ILU_H_HFZH800_1
(GLUTAMATE RECEPTOR 2)		 5hxs SODIUM,CALCIUM
EXCHANGER
(Methanocaldococc
us
jannaschii) 		4 / 5 PRO A 212
SER A  51
LEU A 218
SER A 217
 None
SR  A 401 ( 4.2A)
TOE  A 410 (-4.1A)
None
 1.41A 3iluH-5hxsA:
undetectable		 3iluH-5hxsA:
19.08
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.
4DAJ_B_0HKB2000_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR M3,
LYSOZYME)		 2xdr BETAINE ALDEHYDE
DEHYDROGENASE
(Pseudomonas
aeruginosa) 		5 / 12 SER A 103
THR A  94
THR A  91
ALA A  87
TYR A 154
 None
None
None
None
TOE  A1492 ( 4.1A)
 1.41A 4dajB-2xdrA:
0.0		 4dajB-2xdrA:
21.81
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.
4QVW_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 5hxs SODIUM,CALCIUM
EXCHANGER
(Methanocaldococc
us
jannaschii) 		5 / 11 ALA A 220
ALA A 219
GLY A 231
GLY A  42
SER A  27
 None
TOE  A 410 (-3.6A)
None
None
None
 1.11A 4qvwK-5hxsA:
undetectable
4qvwL-5hxsA:
undetectable		 4qvwK-5hxsA:
23.79
4qvwL-5hxsA:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DSG_A_0HKA1201_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		 2xdr BETAINE ALDEHYDE
DEHYDROGENASE
(Pseudomonas
aeruginosa) 		5 / 12 SER A 103
THR A  94
THR A  91
ALA A  87
TYR A 154
 None
None
None
None
TOE  A1492 ( 4.1A)
 1.50A 5dsgA-2xdrA:
0.0		 5dsgA-2xdrA:
22.96