Structure of PDB 3pe7 Chain A Binding Site BS04

Receptor Information

>3pe7 Chain A (length=376) Species: 393305 (Yersinia enterocolitica subsp. enterocolitica 8081)

MAKGKQIPLTFDTYQDASTGAQVTRLTPPDVTCHRNYFYQKCFTRDGSKL
LFGGAFDGPWNYYLLDLNTQVATQLTEGRGDNTFGGFLSPDDDALFYVKD
GRNLMRVDLATLEENVVYQVPAEWVGYGTWVANSDCTKLVGIEIRREDWV
PLTDWKKFHEFYFTKPCCRLMRVDLKTGESTVILQENQWLGHPIYRPYDD
STVAFCHEGPHDLVDARMWLINEDGTNMRKVKTHAEGESCTHEFWVPDGS
ALVYVSYLKGSPDRFIYSADPETLENRQLTSMPACSHLMSNYDGSLMVGD
GSDAENDPFLYVFNMKNGTQHRVARHDTSWKVFEGDRQVTHPHPSFTPDD
KQILFTSDVHGKPALYLATLPESVWK

Ligand information

• Ligand ID: ACT
• InChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
• InChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-M
• SMILES:
  ACDLabs 10.04: [O-]C(=O)C
  OpenEye OEToolkits 1.5.0: CC(=O)[O-]
  CACTVS 3.341: CC([O-])=O
• Formula: C2 H3 O2
• Name: ACETATE ION
• DrugBank: DB14511
• PDB chain: 3pe7 Chain A Residue 392

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3pe7 The active site of oligogalacturonate lyase provides unique insights into cytoplasmic oligogalacturonate beta-elimination.
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): H287 Q350 H353
• Binding residue (residue number reindexed from 1): H287 Q338 H341
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0016829 lyase activity
• GO:0046872 metal ion binding
• GO:0047487 oligogalacturonide lyase activity

Biological Process

• GO:0045490 pectin catabolic process

External links

• PDB: RCSB:3pe7, PDBe:3pe7, PDBj:3pe7
• PDBsum: 3pe7
• PubMed: 20851883
• UniProt: A1JMA5