Structure of PDB 3ilr Chain A Binding Site BS05

Receptor Information
>3ilr Chain A (length=364) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNTQTLMPLTERVNVQADSARINQIIDGCWVAVGTNKPHAIQRDFTNLFD
GKPSYRFELKTEDNTLEGYAKGETKGRAEFSYCYATSDDFRGLPADVYQK
AQITKTVYHHGKGACPQGSSRDYEFSVYIPSSLDSNVSTIFAQWHGMPDR
TLVQTPQGEVKKLTVDEFVELEKTTFFKKNVGHEKVARLDKQGNPVKDKN
GKPVYKAGKPNGWLVEQGGYPPLAFGFSGGLFYIKANSDRKWLTDKDDRC
NANPGKTPVMKPLTSEYKASTIAYKLPFADFPKDCWITFRVHIDWTVYGK
EAETIVKPGMLDVRMDYVSKHIVDNEKILIGRNDEDGYYFKFGIYRVGDS
TVPVCYNLAGYSER
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 chain3ilr Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3ilr Structural snapshots of heparin depolymerization by heparin lyase I.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		E222 W248 N345 D346
Binding residue
(residue number reindexed from 1)		E216 W242 N333 D334
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.2.7: heparin lyase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3ilr, PDBe:3ilr, PDBj:3ilr
PDBsum3ilr
PubMed19801541
UniProtQ89YQ6

[Back to BioLiP]