Structure of PDB 5ic3 Chain A Binding Site BS03

Receptor Information
>5ic3 Chain A (length=87) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPIRKVLLLKEDHEGLGISITGGKEHGVPILISEIHPGQPADRCGGLHVG
DAILAVNGVNLRDTKHKEAVTILSQQRGEIEFEVVYV
Ligand information
Ligand IDPQR
InChIInChI=1S/C7H8N2O3/c1-9(8-12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3
InChIKeyXAKAQCMEMMZUEO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=NN(c1cc(O)c(O)cc1)C
OpenEye OEToolkits 1.7.6CN(c1ccc(c(c1)O)O)N=O
CACTVS 3.370CN(N=O)c1ccc(O)c(O)c1
FormulaC7 H8 N2 O3
Name4-[methyl(nitroso)amino]benzene-1,2-diol;
Methyl-3,4-dephostatin
ChEMBLCHEMBL1256623
DrugBank
ZINCZINC000003870870
PDB chain5ic3 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ic3 CAL PDZ domain with peptide and inhibitor
Resolution1.7 Å
Binding residue
(original residue number in PDB)		L282 C319
Binding residue
(residue number reindexed from 1)		L7 C44
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005794 Golgi apparatus

View graph for
Cellular Component
External links
PDB RCSB:5ic3, PDBe:5ic3, PDBj:5ic3
PDBsum5ic3
PubMed
UniProtQ9HD26|GOPC_HUMAN Golgi-associated PDZ and coiled-coil motif-containing protein (Gene Name=GOPC)

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