Structure of PDB 2f8p Chain A Binding Site BS01

Receptor Information
>2f8p Chain A (length=190) Species: 32570 (Obelia longissima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASKYAVKLKTDFDNPRWIKRHKHMFDFLDINGNGKITLDEIVSKASDDIC
AKLEATPEQTKRHQVCVEAFFRGCGMEYGKEIAFPQFLDGWKQLATSELK
KWARNEPTLIREWGDAVFDIFDKDGSGTITLDEWKAYGKISGISPSQEDC
EATFRHCDLDNSGDLDVDEMTRQHLGFWYTLDPEADGLYG
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 chain2f8p Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2f8p Crystal structure of obelin after Ca2+-triggered bioluminescence suggests neutral coelenteramide as the primary excited state.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		D30 N32 N34 K36 E41
Binding residue
(residue number reindexed from 1)		D29 N31 N33 K35 E40
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H22 W92 Y138 H175 Y190
Catalytic site (residue number reindexed from 1) H21 W91 Y137 H174 Y189
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0046872 metal ion binding
Biological Process
GO:0008218 bioluminescence

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Molecular Function
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Biological Process
External links
PDB RCSB:2f8p, PDBe:2f8p, PDBj:2f8p
PDBsum2f8p
PubMed16467137
UniProtQ27709|OBL_OBELO Obelin

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