Structure of PDB 4cfq Chain A Binding Site BS03

Receptor Information
>4cfq Chain A (length=85) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MASPLEKALDVMVSTFHKYSGKEGDKFKLNKSELKELLTRELPSFLGTDE
AAFQKLMSNLDSNRDNEVDFQEYCVFLSSIAMMSN
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 chain4cfq Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4cfq The C-Terminal Random Coil Region Tunes the Ca2+-Binding Affinity of S100A4 Through Conformational Activation.
Resolution1.37 Å
Binding residue
(original residue number in PDB)		D63 N65 D67 E69 E74
Binding residue
(residue number reindexed from 1)		D61 N63 D65 E67 E72
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0046914 transition metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4cfq, PDBe:4cfq, PDBj:4cfq
PDBsum4cfq
PubMed24830809
UniProtP26447|S10A4_HUMAN Protein S100-A4 (Gene Name=S100A4)

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