Structure of PDB 8djf Chain A Binding Site BS01

Receptor Information
>8djf Chain A (length=293) Species: 258594 (Rhodopseudomonas palustris CGA009) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNVRVLATDLAFPEGPVVMPDGSVVLVEIRAQQLTRVWPDGRKEVVAKVP
GGPNGAALGPDGKMYICNNGGFGWMPGAPAPHEYIGGSIQRVDLQSGEVE
TLFDKCGEHPLKGPNDLVFDKHGGLWFTDLGKRRARDMDVGAAYYIKPGM
TEITEQVFGTLPLNGIGLSPDEATMYAAETPTGRLWAFDLSGPGEVKPKG
KPICGLGGYQMFDSLAVEASGNVCVATLVSGCISVIAPDGTLVEQVPTGD
RVTTNIAFGGPDLKTAYITLSGKGELIAMDWSRPGLPLNFLNK
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 chain8djf Chain A Residue 401 [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]
PDB8djf A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		E15 N123 N172 D229 S230
Binding residue
(residue number reindexed from 1)		E14 N115 N164 D213 S214
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.17: gluconolactonase.
Gene Ontology
Molecular Function
GO:0004341 gluconolactonase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8djf, PDBe:8djf, PDBj:8djf
PDBsum8djf
PubMed36502920
UniProtQ6N3R9

[Back to BioLiP]