Structure of PDB 3b8y Chain B Binding Site BS03

Receptor Information
>3b8y Chain B (length=294) Species: 556 (Dickeya chrysanthemi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQTTLMLSQKSDVNYLGWSTDESKVARQEVYRGTTSNPDLRERIAVLDAE
TRTFKDALNYWYWVDVVSENQAQVVSNAVTTASECKPGATFENRTVDCGG
VTIGTSCPKPLIILKNATVKNLRISASGGADGIHCDSGNCTIENVIWEDI
CEDAATNNGKTMTIVGGIAHNADKVLQHNSKNSTTVVKGNFTLTGEHGKL
WRSCGDCSNNGGPRFLTVTSATVNGTIDSIAGVNRNYGDVATISGLKIKN
YKEGKPPVCEEFKGVVKGQGSTEKYGEKWDTTNCKVSRSGVSKL
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 chain3b8y Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3b8y The Crystal Structure of Pectate Lyase PelI from Soft Rot Pathogen Erwinia chrysanthemi in Complex with Its Substrate
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D191 I192 N213
Binding residue
(residue number reindexed from 1)		D149 I150 N171
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.2.2: pectate lyase.
Gene Ontology
Molecular Function
GO:0030570 pectate lyase activity
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:3b8y, PDBe:3b8y, PDBj:3b8y
PDBsum3b8y
PubMed18430740
UniProtO50325

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