Structure of PDB 1dvi Chain A Binding Site BS01

Receptor Information
>1dvi Chain A (length=173) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEERQFRKLFVQLAGDDMEVSATELMNILNKVVTRHPDLKTDGFGIDTSR
SMVAVMDSDTTGKLGFEEFKYLWNNIKKWQGIYKRFDTDRSGTIGSNELP
GAFEAAGFHLNQHIYSMIIRRYSDETGNMDFDNFISCLVRLDAMFRAFRS
LDKNGTGQIQVNIQEWLQLTMYS
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 chain1dvi Chain A Residue 271 [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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PDB1dvi Structure of a calpain Ca(2+)-binding domain reveals a novel EF-hand and Ca(2+)-induced conformational changes.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		A111 D114 E116 E121
Binding residue
(residue number reindexed from 1)		A14 D17 E19 E24
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) F166 G189 I191
Catalytic site (residue number reindexed from 1) F69 G92 I94
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:1dvi, PDBe:1dvi, PDBj:1dvi
PDBsum1dvi
PubMed9228945
UniProtQ64537|CPNS1_RAT Calpain small subunit 1 (Gene Name=Capns1)

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