Structure of PDB 1o8j Chain A Binding Site BS01

Receptor Information
>1o8j Chain A (length=352) Species: 556 (Dickeya chrysanthemi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATDTGGYAATAGGNVTGAVSKTATSMQDIVNIIDAARLDANGKKVKGGAY
PLVITYTGNEDSLINAAAANICGQWSKDPRGVEIKEFTKGITIIGANGSS
ANFGIWIKKSSDVVVQNMRIGYLPGGAKDGDMIRVDDSPNVWVDHNELFA
ANHECDGTPDNDTTFESAVDIKGASNTVTVSYNYIHGVKKVGLDGSSSSD
TGRNITYHHNYYNDVNARLPLQRGGLVHAYNNLYTNITGSGLNVRQNGQA
LIENNWFEKAINPVTSRYDGKNFGTWVLKGNNITKPADFSTYSITWTADT
KPYVNADSWTSTGTFPTVAYNYSPVSAQCVKDKLPGYAGVGKNLATLTST
AC
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 chain1o8j Chain A Residue 1353 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1o8j Characterization and Implications of Ca2+ Binding to Pectate Lyase C
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D129 D131 E166 D170 C352
Binding residue
(residue number reindexed from 1)		D129 D131 E166 D170 C352
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D129 D131 A151 E166 D170 A217 R218 P220
Catalytic site (residue number reindexed from 1) D129 D131 A151 E166 D170 A217 R218 P220
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1o8j, PDBe:1o8j, PDBj:1o8j
PDBsum1o8j
PubMed12540845
UniProtP11073|PLYC_DICCH Pectate lyase C (Gene Name=pelC)

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