Structure of PDB 1ru4 Chain A Binding Site BS01

Receptor Information
>1ru4 Chain A (length=400) Species: 556 (Dickeya chrysanthemi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADCSSDLTSGISTKRIYYVAPNGNSSNNGSSFNAPMSFSAAMAAVNPGEL
ILLKPGTYTIPYTQGKGNTITFNKSGKDGAPIYVAAANCGRAVFDFSFPD
SQWVQASYGFYVTGDYWYFKGVEVTRAGYQGAYVIGSHNTFENTAFHHNR
NTGLEINNGGSYNTVINSDAYRNYDPKKNGSMADGFGPKQKQGPGNRFVG
CRAWENSDDGFDLFDSPQKVVIENSWAFRNGINYWNDSAFAGNGNGFKLG
GNQAVGNHRITRSVAFGNVSKGFDQNNNAGGVTVINNTSYKNGINYGFGS
NVQSGQKHYFRNNVSLSASVTVSNADAKSNSWDTGPAASASDFVSLDTSL
ATVSRDNDGTLPETSLFRLSANSKLINAGTKESNISYSGSAPDLGAFERN
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 chain1ru4 Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ru4 The crystal structure of pectate lyase Pel9A from Erwinia chrysanthemi
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D209 D233 D234 D237
Binding residue
(residue number reindexed from 1)		D184 D208 D209 D212
Annotation score4
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ru4, PDBe:1ru4, PDBj:1ru4
PDBsum1ru4
PubMed14670977
UniProtP0C1A7|PLYL_DICD3 Pectate lyase L (Gene Name=pelL)

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