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BioLiP

Structure of PDB 1avs Chain A Binding Site BS01

Receptor Information
>1avs Chain A (length=81) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QAEARAFLSEEMIAEFKAAFDMFDADGGGDISTKELGTVMRMLGQNPTKE
ELDAIIEEVDEDGSGTIDFEEFLVMMVRQMK
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 chain1avs Chain A Residue 93 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1avs Structural details of a calcium-induced molecular switch: X-ray crystallographic analysis of the calcium-saturated N-terminal domain of troponin C at 1.75 A resolution.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D30 D32 D36 E41
Binding residue
(residue number reindexed from 1)		D24 D26 D30 E35
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

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Molecular Function
External links
PDB RCSB:1avs, PDBe:1avs, PDBj:1avs
PDBsum1avs
PubMed9367759
UniProtP02588|TNNC2_CHICK Troponin C, skeletal muscle (Gene Name=TNNC2)

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