Structure of PDB 2r4h Chain C Binding Site BS01

Receptor Information
>2r4h Chain C (length=98) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TENLYFQSMDFYTVELERGAKGFGFSLRGGREYNMDLYVLRLAEDGPAER
SGKMRIGDEILEINGETTKNMKHSRAIELIKNGGRRVRLFLKRGETSV
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 chain2r4h Chain C Residue 91 [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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PDB2r4h Crystal structure of a C1190S mutant of the 6th PDZ domain of human membrane associated guanylate kinase.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		M27 D28
Binding residue
(residue number reindexed from 1)		M35 D36
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) K13
Catalytic site (residue number reindexed from 1) K21
Enzyme Commision number ?
External links
PDB RCSB:2r4h, PDBe:2r4h, PDBj:2r4h
PDBsum2r4h
PubMed
UniProtQ96QZ7|MAGI1_HUMAN Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 (Gene Name=MAGI1)

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