Structure of PDB 4cfq Chain C Binding Site BS02

Receptor Information
>4cfq Chain C (length=85) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASPLEKALDVMVSTFHKYSGKEGDKFKLNKSELKELLTRELPSFLGTDEA
AFQKLMSNLDSNRDNEVDFQEYCVFLSSIAMMSNE
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 C Residue 501 [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)		S20 E23 D25 K28 E33
Binding residue
(residue number reindexed from 1)		S19 E22 D24 K27 E32
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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