Structure of PDB 3sy8 Chain A Binding Site BS01

Receptor Information

>3sy8 Chain A (length=389) Species: 208964 (Pseudomonas aeruginosa PAO1)

MNDLNVLVLEDEPFQRLVAVTALKKVVPGSILEAADGKEAVAILESCGHV
DIAICDLQMSGMDGLAFLRHASLSGKVHSVILSSEVDPILRQATISMIEC
LGLNFLGDLGKPFSLERITALLTRYNARRQDLPRQAELPSVADVVRGLDN
GEFEAYYQPKVALDGGGLIGAEVLARWNHPHLGVLPPSHFLYVMETYNLV
DKLFWQLFSQGLATRRKLAQLGQPINLAFNVHPSQLGSRALAENISALLT
EFHLPPSSVMFEITETGLISAPASSLENLVRLWIMGCGLAMDDFGAGYSS
LDRLCEFPFSQIKLDRTFVQKMKTQPRSCAVISSVVALAQALGISLVVEG
VESDEQRVRLIELGCSIAQGYLFARPMPEQHFLDYCSGS

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3sy8 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3sy8 Structural insights into the regulatory mechanism of the response regulator RocR from Pseudomonas aeruginosa in cyclic Di-GMP signaling.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): E175 N233 E265 D295
• Binding residue (residue number reindexed from 1): E172 N230 E262 D292
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.4.52: cyclic-guanylate-specific phosphodiesterase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding
• GO:0071111 cyclic-guanylate-specific phosphodiesterase activity

Biological Process

• GO:0000160 phosphorelay signal transduction system
• GO:0045892 negative regulation of DNA-templated transcription

External links

• PDB: RCSB:3sy8, PDBe:3sy8, PDBj:3sy8
• PDBsum: 3sy8
• PubMed: 22753070
• UniProt: Q9HX69|ROCR_PSEAE Cyclic di-GMP phosphodiesterase RocR (Gene Name=rocR)