Structure of PDB 8djz Chain A Binding Site BS02

Receptor Information

>8djz Chain A (length=293) Species: 258594 (Rhodopseudomonas palustris CGA009)

SNVRVLATDLAFPEGPVVMPDGSVVLVEIRAQQLTRVWPDGRKEVVAKVP
GGPNGAALGPDGKMYICNNGGFGWMPGAPAPHEYIGGSIQRVDLQSGEVE
TLFDKCGEHPLKGPNDLVFDKHGGLWFTDLGKRRARDMDVGAAYYIKPGM
TEITEQVFGTLPLNGIGLSPDEATMYAAETPTGRLWAFDLSGPGEVKPKG
KPICGLGGYQMFDSLAVEASGNVCVATLVSGCISVIAPDGTLVEQVPTGD
RVTTNIAFGGPDLKTAYITLSGKGELIAMDWSRPGLPLNFLNK

Ligand information

• Ligand ID: SJ3
• InChI: InChI=1S/C5H10O3/c1-4(6)2-3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
• InChIKey: FMHKPLXYWVCLME-SCSAIBSYSA-N
• SMILES:
  CACTVS 3.385: C[CH](O)CCC(O)=O
  CACTVS 3.385: C[C@@H](O)CCC(O)=O
  OpenEye OEToolkits 2.0.7: C[C@H](CCC(=O)O)O
  OpenEye OEToolkits 2.0.7: CC(CCC(=O)O)O
  ACDLabs 12.01: O=C(O)CCC(C)O
• Formula: C5 H10 O3
• Name: (4R)-4-hydroxypentanoic acid
• ZINC: ZINC000006036206
• PDB chain: 8djz Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8djz A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone.
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): E15 N123 D229
• Binding residue (residue number reindexed from 1): E14 N115 D213
• Annotation score: 1

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

External links

• PDB: RCSB:8djz, PDBe:8djz, PDBj:8djz
• PDBsum: 8djz
• PubMed: 36502920
• UniProt: Q6N3R9