Structure of PDB 4u49 Chain B Binding Site BS01

Receptor Information
>4u49 Chain B (length=318) Species: 554 (Pectobacterium carotovorum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDTMLMLLKKDNATYLSWSTDAGNVVRQDVYRSTSSAQAGSEKIAELNSS
DRTFTDLTANPQSDYWYWVDTVSGNNSVLKSNAASTAPAAASPECKAGAV
IKDKTVDCGGITLGLSCSGDSDKQPPVITLENATIKNLRISEKGGSDGIH
CKSGNCRIENVIWEDICEDAATNLGKTMTIVGGVAHNTTNGPGGKPDKVL
QQNAKNSHTIVQGNFTLTGQHGKLWRSCGDCTNNGGPRNLTIISATVNGT
IDSIAGVNRNFGDVAEIRDLRIKGYKEGKPPVCEEFNGVEKGKGKSDKYG
EFWDTKNCKVSRSNVKPL
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 chain4u49 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4u49 Structure-function analysis of pectate lyase Pel3 reveals essential facets of protein recognition by the bacterial type 2 secretion system.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D194 I195 N216 P221
Binding residue
(residue number reindexed from 1)		D165 I166 N187 P192
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:4u49, PDBe:4u49, PDBj:4u49
PDBsum4u49
PubMed
UniProtQ47465

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