Structure of PDB 4n1g Chain B Binding Site BS02

Receptor Information
>4n1g Chain B (length=194) Species: 32570 (Obelia longissima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASKYAVKLKTDFDNPRWIKRHKHMFDFLDINGNGKITLDEIVSKASDDIC
AKLEATPEQTKRHQVCVEAFFRGCGMEYGKEIAFPQYLDGWKQLATSELK
KWARNEPTLIREWGDAVFDIFDKDGSGTITLDEWKAYGKISGISPSQEDC
EATFRHCDLDNSGDLDVDEMTRQHLGFWYTLDPEADGLYGNGVP
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 chain4n1g Chain B Residue 202 [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]
PDB4n1g Crystal structures of the F88Y obelin mutant before and after bioluminescence provide molecular insight into spectral tuning among hydromedusan photoproteins
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D159 D161 S163 D165 E170
Binding residue
(residue number reindexed from 1)		D158 D160 S162 D164 E169
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4n1g, PDBe:4n1g, PDBj:4n1g
PDBsum4n1g
PubMed24418253
UniProtQ27709|OBL_OBELO Obelin

[Back to BioLiP]