Structure of PDB 2o0v Chain A Binding Site BS04

Receptor Information

>2o0v Chain A (length=399) Species: 1423 (Bacillus subtilis)

ADLGHQTLGSNDGWGAYSTGTTGGSKASSSNVYTVSNRNQLVSALGKETN
TTPKIIYIKGTIDMNVDDNLKPLGLNDYKDPEYDLDKYLKAYDPSTWGKK
EPSGTQEEARARSQKNQKARVMVDIPANTTIVGSGTNAKVVGGNFQIKSD
NVIIRNIEFQDAYDYFPQWDPTDGSSGNWNSQYDNITINGGTHIWIDHCT
FNDGSRPDSTSPKYYGRKYQHHDGQTDASNGANYITMSYNYYHDHDKSSI
FGSSDSKTSDDGKLKITLHHNRYKNIVQAAPRVRFGQVHVYNNYYEGSTS
SSSYPFSYAWGIGKSSKIYAQNNVIDVPGLSAAKTISVFSGGTALYDSGT
LLNGTQINASAANGLSSSVGWTPSLHGSIDASANVKSNVINQAGAGKLN

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 2o0v Chain A Residue 405

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2o0v Structural insights into substrate specificity and the anti beta-elimination mechanism of pectate lyase.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): D184 D223 D227
• Binding residue (residue number reindexed from 1): D184 D223 D227
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D184 D223 D227 A279
• Catalytic site (residue number reindexed from 1): D184 D223 D227 A279
• Enzyme Commision number: 4.2.2.2: pectate lyase.

Gene Ontology

Molecular Function

• GO:0016829 lyase activity
• GO:0030570 pectate lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0045490 pectin catabolic process

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:2o0v, PDBe:2o0v, PDBj:2o0v
• PDBsum: 2o0v
• PubMed: 20000851
• UniProt: P39116|PLY_BACSU Pectate lyase (Gene Name=pel)