Structure of PDB 1ee6 Chain A Binding Site BS01

Receptor Information
>1ee6 Chain A (length=197) Species: 98226 (Bacillus sp. KSM-P15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APTVVHETIRVPAGQTFDGKGQTYVANPNTLGDGSQAENQKPIFRLEAGA
SLKNVVIGAPAADGVHCYGDCTITNVIWEDVGEDALTLKSSGTVNISGGA
AYKAYDKVFQINAAGTINIRNFRADDIGKLVRQNGGTTYKVVMNVENCNI
SRVKDAILRTDSSTSTGRIVNTRYSNVPTLFKGFKSGNTTASGNTQY
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 chain1ee6 Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ee6 The first structure of pectate lyase belonging to polysaccharide lyase family 3.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D80 V81 K103
Binding residue
(residue number reindexed from 1)		D80 V81 K103
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.2.2: pectate lyase.
Gene Ontology
Molecular Function
GO:0004650 polygalacturonase activity
GO:0005509 calcium ion binding
GO:0016829 lyase activity
GO:0030570 pectate lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0045489 pectin biosynthetic 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:1ee6, PDBe:1ee6, PDBj:1ee6
PDBsum1ee6
PubMed11717490
UniProtQ9RHW0

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