Structure of PDB 1wrl Chain A Binding Site BS01

Receptor Information
>1wrl Chain A (length=82) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IYKAAVEQLTEEQKNEFKAAFDIFVLGAEDGSISTKELGKVMRMLGQNPT
PEELQEMIDEVDEDGSGTVDFDEFLVMMVRSM
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 chain1wrl Chain A Residue 101 [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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PDB1wrl Crystal structure of the N-terminal domain of human cardiac troponin C in complex with trifluoperazine
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D65 D67 S69 T71 E76
Binding residue
(residue number reindexed from 1)		D62 D64 S66 T68 E73
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:1wrl, PDBe:1wrl, PDBj:1wrl
PDBsum1wrl
PubMed
UniProtP63316|TNNC1_HUMAN Troponin C, slow skeletal and cardiac muscles (Gene Name=TNNC1)

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