Structure of PDB 3n9b Chain A Binding Site BS04

Receptor Information
>3n9b Chain A (length=148) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLRYCVQKHDASRLHYDFRLELDGTLKSWAVPKGPCLDPAVKRLAVQVED
HPLDYADFEGSIPQAGDVIVWDRGAWTPLDDPREGLEKGHLSFALDGEKL
SGRWHLIRTNLRGKQSQWFLVKAKDGEARSLDRFDVLKERPDSVLSER
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3n9b Chain A Residue 188 [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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PDB3n9b Structure of bacterial LigD 3'-phosphoesterase unveils a DNA repair superfamily
Resolution1.92 Å
Binding residue
(original residue number in PDB)		H42 H48 D50
Binding residue
(residue number reindexed from 1)		H9 H15 D17
Annotation score4
Enzymatic activity
Enzyme Commision number 6.5.1.1: DNA ligase (ATP).
External links
PDB RCSB:3n9b, PDBe:3n9b, PDBj:3n9b
PDBsum3n9b
PubMed20616014
UniProtQ9I1X7|LIGD_PSEAE Multifunctional non-homologous end joining protein LigD (Gene Name=ligD)

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