Structure of PDB 3b90 Chain A Binding Site BS01

Receptor Information
>3b90 Chain A (length=226) Species: 556 (Dickeya chrysanthemi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SECKPGATFENRTVDCGGVTIGTSCPNDSDKQKPLIILKNATVKNLRISA
SGGADGIHCDSGNCTIENVIWEDICEDAATNNGKTMTIVGGIAHNAKDGY
GGKPDKVLQHNSKNSTTVVKGNFTLTGEHGKLWRSCGDCSNNGGPRFLTV
TSATVNGTIDSIAGVNRNYGDVATISGLKIKNYKEGKPPVCEEFKGVVKG
QGSTEKYGEKWDTTNCKVSRSGVSKL
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 chain3b90 Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3b90 The Crystal Structure of Pectate Lyase PelI from Soft Rot Pathogen Erwinia chrysanthemi in Complex with Its Substrate
Resolution2.11 Å
Binding residue
(original residue number in PDB)		D191 I192 N213 Y218
Binding residue
(residue number reindexed from 1)		D73 I74 N95 Y100
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:3b90, PDBe:3b90, PDBj:3b90
PDBsum3b90
PubMed18430740
UniProtO50325

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