Structure of PDB 2mle Chain C Binding Site BS01

Receptor Information
>2mle Chain C (length=72) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGKSEEELSDLFRMFDKNADGYIDLDELKIMLQATGETITEDDIEELMKD
GDKNNDGRIDYDEFLEFMKGVE
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 chain2mle Chain C 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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PDB2mle The dilated cardiomyopathy G159D mutation in cardiac troponin C weakens the anchoring interaction with troponin I.
ResolutionN/A
Binding residue
(original residue number in PDB)		D141 D145 R147 I148 E152
Binding residue
(residue number reindexed from 1)		D52 D56 R58 I59 E63
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:2mle, PDBe:2mle, PDBj:2mle
PDBsum2mle
PubMed18803402
UniProtP63316|TNNC1_HUMAN Troponin C, slow skeletal and cardiac muscles (Gene Name=TNNC1)

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