Structure of PDB 4iau Chain A Binding Site BS01

Receptor Information
>4iau Chain A (length=161) Species: 6047 (Geodia cydonium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STAKVTLVTSGGSSQDFTSEQTNITTDFARVRVTKGMWIFYQQANYNDAS
GGGSLWIKLDESSHLMDLPFTPRSFRPVKTFQVGATLYKHVNFGGKELDL
PNSNPRIDIGGVSSALISQGQWRLYEQYDYAGPSTRRGPGVYVNAGALGV
ANDALKSMERE
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 chain4iau Chain A Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4iau A novel interdomain interface in crystallins: structural characterization of the [beta][gamma]-crystallin from Geodia cydonium at 0.99 A resolution
Resolution0.99 Å
Binding residue
(original residue number in PDB)		K90 G112 S114 D154
Binding residue
(residue number reindexed from 1)		K89 G111 S113 D153
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4iau, PDBe:4iau, PDBj:4iau
PDBsum4iau
PubMed23695240
UniProtO18426

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