Structure of PDB 1g1i Chain A Binding Site BS01

Receptor Information
>1g1i Chain A (length=43) Species: 37137 (Simian rotavirus A/SA11-both) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEKQMDRVVKEMRRQLEMIDKLTTREIEQVELLKRIYDKLTVQ
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1g1i Chain A Residue 201 [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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PDB1g1i Crystal structure of the oligomerization domain of NSP4 from rotavirus reveals a core metal-binding site.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E120 Q123
Binding residue
(residue number reindexed from 1)		E26 Q29
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1g1i, PDBe:1g1i, PDBj:1g1i
PDBsum1g1i
PubMed11124032
UniProtP04512|NSP4_ROTS1 Non-structural glycoprotein 4

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