Structure of PDB 1qv1 Chain A Binding Site BS01

Receptor Information
>1qv1 Chain A (length=187) Species: 32570 (Obelia longissima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YAVKLKTDFDNPRWIKRHKHMFDFLDINGNGKITLDEIVSKASDDICAKL
EATPEQTKRHQVCVEAFFRGCGMEYGKEIAFPQFLDGWKQLATSELKKWA
RNEPTLIREWGDAVFDIFDGTITLDEWKAYGKISGISPSQEDCEATFRHC
DLDNAGDLDVDEMTRQHLGFWYTLDPEADGLYGNGVP
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 chain1qv1 Chain A Residue 403 [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]
PDB1qv1 Atomic resolution structure of obelin: soaking with calcium enhances electron density of the second oxygen atom substituted at the C2-position of coelenterazine.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		D30 N32 N34 K36
Binding residue
(residue number reindexed from 1)		D26 N28 N30 K32
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H22 W92 Y138 H175 Y190
Catalytic site (residue number reindexed from 1) H18 W88 Y130 H167 Y182
Enzyme Commision number 1.13.12.5: Renilla-type luciferase.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0046872 metal ion binding
Biological Process
GO:0008218 bioluminescence

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1qv1, PDBe:1qv1, PDBj:1qv1
PDBsum1qv1
PubMed14592432
UniProtQ27709|OBL_OBELO Obelin

[Back to BioLiP]