Structure of PDB 2awx Chain B Binding Site BS01

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 3 [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)		F331 S332 I354
Binding residue
(residue number reindexed from 1)		F15 S16 I38
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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