Structure of PDB 2kay Chain B Binding Site BS01

Receptor Information
>2kay Chain B (length=92) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
METPLEKALTTMVTTFHKYSGREGSKLTLSRKELKELIKKELCLGEMKES
SIDDLMKSLDKNSDQEIDFKEYSVFLTMLCMAYNDFFLEDNK
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 chain2kay Chain B Residue 187 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2kay Solution structure and dynamics of S100A5 in the apo and Ca2+-bound states
ResolutionN/A
Binding residue
(original residue number in PDB)		D60 N62 D64 E66 E71
Binding residue
(residue number reindexed from 1)		D60 N62 D64 E66 E71
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0046914 transition metal ion binding
GO:0048306 calcium-dependent protein binding
Cellular Component
GO:0005634 nucleus
GO:0043025 neuronal cell body

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2kay, PDBe:2kay, PDBj:2kay
PDBsum2kay
PubMed19536568
UniProtP33763|S10A5_HUMAN Protein S100-A5 (Gene Name=S100A5)

[Back to BioLiP]