Structure of PDB 1np8 Chain B Binding Site BS03

Receptor Information
>1np8 Chain B (length=149) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEEERQFRKLFVQLAGDDMEVSATELMNILNKVVTRHPDLKTDGFGIDTC
RSMVAVMDSDTTGKLGFEEFKYLWNNIKKWQGIYKRFDTDRSGTIGSNEL
PGAFEAAGFHLNQHIYSMIIRRYSDETGNMDFDNFISCLVRLDAMFRAF
Ligand information
Ligand IDCD
InChIInChI=1S/Cd/q+2
InChIKeyWLZRMCYVCSSEQC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Cd++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cd+2]
FormulaCd
NameCADMIUM ION
ChEMBL
DrugBank
ZINC
PDB chain1np8 Chain B Residue 709 [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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PDB1np8 A second binding site revealed by C-terminal truncation of calpain small subunit, a penta-EF-hand protein
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A525 D528 E530 E535
Binding residue
(residue number reindexed from 1)		A15 D18 E20 E25
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) F580 G603 I605
Catalytic site (residue number reindexed from 1) F70 G93 I95
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:1np8, PDBe:1np8, PDBj:1np8
PDBsum1np8
PubMed14579356
UniProtQ64537|CPNS1_RAT Calpain small subunit 1 (Gene Name=Capns1)

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