Structure of PDB 7ris Chain A Binding Site BS02

Receptor Information
>7ris 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]
VRVLATDLAFPEGPVVMPDGSVVLVEIRAQQLTRVWPDGRKEVVAKVPGG
PNGAALGPDGKMYICNNGGFGPGAPAPHEYIGGSIQRVDLQSGEVETLFD
KCGEHPLKGPNDLVFDKHGGLWFTDLGKRRARDMDVGAAYYIKPGMTEIT
EQVFGTLPLNGIGLSPDEATMYAAETPTGRLWAFDLSGPGEVKPRDGEKG
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 chain7ris Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ris A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone.
Resolution1.72 Å
Binding residue
(original residue number in PDB)		E15 N123 N172 D229 S230
Binding residue
(residue number reindexed from 1)		E12 N111 N160 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:7ris, PDBe:7ris, PDBj:7ris
PDBsum7ris
PubMed36502920
UniProtQ6N3R9

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