Structure of PDB 1nub Chain B Binding Site BS03

Receptor Information
>1nub Chain B (length=226) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APCQNHHCKHGKVCELDENNTPMCVCQDPTSCPAPIGEFEKVCSNDNKTF
DSSCHFFATKCTLEGTKKGHKLHLDYIGPCKYIPPCLDSELTEFPLRMRD
WLKNVLVTLYERDEDNNLLTEKQKLRVKKIHENEKRLEAGDHPEKNYNMY
IFPVHWQFGQLDQHPIDGYLSHTELAPLRAPLIPMEHCTTRFFETCDLDN
DKYIALDEWAGCFGIKQKDIDKDLVI
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 chain1nub Chain B Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nub Crystal structure and mapping by site-directed mutagenesis of the collagen-binding epitope of an activated form of BM-40/SPARC/osteonectin.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		P241 I243 E246
Binding residue
(residue number reindexed from 1)		P181 I183 E186
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
Cellular Component
GO:0005615 extracellular space

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:1nub, PDBe:1nub, PDBj:1nub
PDBsum1nub
PubMed9501084
UniProtP09486|SPRC_HUMAN SPARC (Gene Name=SPARC)

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