Structure of PDB 3n9b Chain B Binding Site BS01

Receptor Information
>3n9b Chain B (length=157) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSTGLLRYCVQKHDASRLHYDFRLELDGTLKSWAVPKGPCLDPAVKRLAV
QVEDHPLDYADFEGSIPQHYGAGDVIVWDRGAWTPLDDPREGLEKGHLSF
ALDGEKLSGRWHLIRTNLRGKQSQWFLVKAKDGEARSLDRFDVLKERPDS
VLSERTL
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain3n9b Chain B Residue 1 [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 H84 Y100
Binding residue
(residue number reindexed from 1)		H13 H55 Y70
Annotation score3
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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