Structure of PDB 4aqi Chain A Binding Site BS01

Receptor Information

>4aqi Chain A (length=96) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SNTQAERSIIGMIDMFHKYTGRDGKIEKPSLLTMMKENFPNFLSACDKKG
IHYLATVFEKKDKNEDKKIDFSEFLSLLGDIAADYHKQSHGAAPCS

Ligand information

InChI=1S/Ca/q+2

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Ca

Name

CALCIUM ION

PDB chain

4aqi Chain A Residue 1097 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	4aqi Structural Characterization of S100A15 Reveals a Novel Zinc Coordination Site Among S100 Proteins and Altered Surface Chemistry with Functional Implications for Receptor Binding.
Resolution	1.7 Å
Binding residue (original residue number in PDB)	D62 N64 D66 K68 E73
Binding residue (residue number reindexed from 1)	D62 N64 D66 K68 E73
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0005509	calcium ion binding
GO:0005515	protein binding
GO:0042802	identical protein binding
GO:0046872	metal ion binding
GO:0046914	transition metal ion binding
GO:0048306	calcium-dependent protein binding

	Cellular Component
GO:0005615	extracellular space
GO:0005737	cytoplasm
GO:0005829	cytosol

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Molecular Function

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Cellular Component

External links

PDB	RCSB:4aqi, PDBe:4aqi, PDBj:4aqi
PDBsum	4aqi
PubMed	22747601
UniProt	Q86SG5\|S1A7A_HUMAN Protein S100-A7A (Gene Name=S100A7A)

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