Structure of PDB 1ru4 Chain A Binding Site BS02

Receptor Information

>1ru4 Chain A (length=400) Species: 556 (Dickeya chrysanthemi)

ADCSSDLTSGISTKRIYYVAPNGNSSNNGSSFNAPMSFSAAMAAVNPGEL
ILLKPGTYTIPYTQGKGNTITFNKSGKDGAPIYVAAANCGRAVFDFSFPD
SQWVQASYGFYVTGDYWYFKGVEVTRAGYQGAYVIGSHNTFENTAFHHNR
NTGLEINNGGSYNTVINSDAYRNYDPKKNGSMADGFGPKQKQGPGNRFVG
CRAWENSDDGFDLFDSPQKVVIENSWAFRNGINYWNDSAFAGNGNGFKLG
GNQAVGNHRITRSVAFGNVSKGFDQNNNAGGVTVINNTSYKNGINYGFGS
NVQSGQKHYFRNNVSLSASVTVSNADAKSNSWDTGPAASASDFVSLDTSL
ATVSRDNDGTLPETSLFRLSANSKLINAGTKESNISYSGSAPDLGAFERN

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: 1ru4 Chain A Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ru4 The crystal structure of pectate lyase Pel9A from Erwinia chrysanthemi
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): N402 S413 A416 D418 E423
• Binding residue (residue number reindexed from 1): N377 S388 A391 D393 E398
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): N268 K273
• Catalytic site (residue number reindexed from 1): N243 K248
• Enzyme Commision number: 4.2.2.2: pectate lyase.

Gene Ontology

Molecular Function

• GO:0016829 lyase activity
• GO:0016837 carbon-oxygen lyase activity, acting on polysaccharides
• GO:0030570 pectate lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0045490 pectin catabolic process
• GO:0052009 symbiont-mediated disruption of host cell wall

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:1ru4, PDBe:1ru4, PDBj:1ru4
• PDBsum: 1ru4
• PubMed: 14670977
• UniProt: P0C1A7|PLYL_DICD3 Pectate lyase L (Gene Name=pelL)