SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4aoy'

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.
1SQ5_D_PAUD6004_0
(PANTOTHENATE KINASE)		 4aoy ISOCITRATE
DEHYDROGENASE [NADP]
(Ruminiclostridiu
m
thermocellum) 		5 / 10 VAL A  69
ASP A 344
LEU A 349
LEU A  10
TYR A 300
 None
 1.17A 1sq5D-4aoyA:
undetectable		 1sq5D-4aoyA:
22.33
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.
2O4N_A_TPVA300_1
(PROTEASE)		 4aoy ISOCITRATE
DEHYDROGENASE [NADP]
(Ruminiclostridiu
m
thermocellum) 		6 / 12 LEU A  31
ALA A 353
ASP A 351
ILE A   4
GLY A 341
LEU A  37
 None
 1.46A 2o4nA-4aoyA:
undetectable		 2o4nA-4aoyA:
13.33
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.
3VQR_A_ACTA1002_0
(PUTATIVE
OXIDOREDUCTASE)		 4aoy ISOCITRATE
DEHYDROGENASE [NADP]
(Ruminiclostridiu
m
thermocellum) 		4 / 6 ASP A  14
GLY A  45
ASP A  16
THR A  75
 None
 0.90A 3vqrA-4aoyA:
undetectable		 3vqrA-4aoyA:
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.
3VQR_B_ACTB1002_0
(PUTATIVE
OXIDOREDUCTASE)		 4aoy ISOCITRATE
DEHYDROGENASE [NADP]
(Ruminiclostridiu
m
thermocellum) 		4 / 5 ASP A  14
GLY A  45
ASP A  16
THR A  75
 None
 0.92A 3vqrB-4aoyA:
undetectable		 3vqrB-4aoyA:
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.
5KOX_A_RFPA502_1
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		 4aoy ISOCITRATE
DEHYDROGENASE [NADP]
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ARG A 340
GLY A  70
GLY A 345
ILE A 346
GLY A 335
 None
 0.94A 5koxA-4aoyA:
undetectable		 5koxA-4aoyA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		 4aoy ISOCITRATE
DEHYDROGENASE [NADP]
(Ruminiclostridiu
m
thermocellum) 		5 / 12 THR A 363
VAL A 114
ASP A 389
PHE A 390
ASN A 325
 None
 1.28A 6iblA-4aoyA:
undetectable		 6iblA-4aoyA:
21.27