Structure of PDB 3rg0 Chain A Binding Site BS01

Receptor Information
>3rg0 Chain A (length=292) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPAIYFKEQFLDGDAWTNRWVESKHKSDFGKFVLSSGKFYGDLEKDKGLQ
TSQDARFYALSAKFEPFSNKGQTLVVQFTVKHEQNIDCGGGYVKLFPSGL
DQKDMHGDSEYNIMFGPDICGPGTKKVHVIFNYKGKNVLINKDIRSKDDE
FTHLYTLIVRPDNTYEVKIDNSQVESGSLEDDWDFLPPKKIKDPDAAKPE
DWDERAKIDYKGTWIHPEIDNPEYSPDANIYAYDSFAVLGLDLWQVKSGT
IFDNFLITNDEAYAEEFGNETWGVTKAAEKQMKDKQDEEQRL
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 chain3rg0 Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3rg0 Structural and Functional Relationships between the Lectin and Arm Domains of Calreticulin.
Resolution2.57 Å
Binding residue
(original residue number in PDB)		Q26 K62 D63 K64 D328
Binding residue
(residue number reindexed from 1)		Q9 K45 D46 K47 D253
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0051082 unfolded protein binding
Biological Process
GO:0006457 protein folding
Cellular Component
GO:0005783 endoplasmic reticulum

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3rg0, PDBe:3rg0, PDBj:3rg0
PDBsum3rg0
PubMed21652723
UniProtP14211|CALR_MOUSE Calreticulin (Gene Name=Calr)

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