Structure of PDB 2awx Chain B Binding Site BS02

Receptor Information
>2awx Chain B (length=89) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IMEIKLIKGPKGLGFSIAGGVGNQHIPGDNSIYVTKIIEGGAAHKDGKLQ
IGDKLLAVNSVSLEEVTHEEAVTALKNTSDFVYLKVAKP
Ligand information
Ligand IDHIS
InChIInChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
InChIKeyHNDVDQJCIGZPNO-YFKPBYRVSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c([nH+]c[nH]1)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c[nH+]1)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc1cnc[nH+]1
OpenEye OEToolkits 1.5.0c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N
FormulaC6 H10 N3 O2
NameHISTIDINE
ChEMBL
DrugBank
ZINC
PDB chain2awx Chain B Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2awx Crystal structure of the second PDZ domain of SAP97 in complex with a GluR-A C-terminal peptide
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G328 L329 G330 F331 I333
Binding residue
(residue number reindexed from 1)		G12 L13 G14 F15 I17
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2awx, PDBe:2awx, PDBj:2awx
PDBsum2awx
PubMed17069616
UniProtQ62696|DLG1_RAT Disks large homolog 1 (Gene Name=Dlg1)

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