Structure of PDB 4qko Chain B Binding Site BS01

Receptor Information
>4qko Chain B (length=131) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RDPRDVPGAATGKGQPVSGNWLGAASQGEGAPIPSQIADKLRGKTFKNWR
DFREQFWIAVANDPELSKQFNPGSLAVMRDGGAPYVRESEQAGGRIKIEI
HHKVRIADGGGVYNMGNLVAVTPKRHIEIHK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4qko Chain B Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4qko Structural Insights into pyocin S2
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H656 H681
Binding residue
(residue number reindexed from 1)		H101 H126
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R559 R650 E654 H656 H657 H681 H685
Catalytic site (residue number reindexed from 1) R4 R95 E99 H101 H102 H126 H130
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0004519 endonuclease activity

View graph for
Molecular Function
External links
PDB RCSB:4qko, PDBe:4qko, PDBj:4qko
PDBsum4qko
PubMed
UniProtQ06584|PYS2_PSEAE Pyocin-S2 (Gene Name=pys2)

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