Structure of PDB 3bre Chain A Binding Site BS01

Receptor Information

>3bre Chain A (length=322) Species: 208964 (Pseudomonas aeruginosa PAO1)

AVMVLLVDDQAMIGEAVRRSLASEAGIDFHFCSDPQQAVAVANQIKPTVI
LQDLVMPGVDGLTLLAAYRGNPATRDIPIIVLSTKEEPTVKSAAFAAGAN
DYLVKLPDAIELVARIRYHSRSYIALQQRDEAYRALRESQQQLLETNLVL
QRLMNSDGLTGLSNRRHFDEYLEMEWRRSLREQSQLSLLMIDVDYFKSYN
DTFGHVAGDEALRQVAGAIREGCSRSSDLAARYGGEEFAMVLPGTSPGGA
RLLAEKVRRTVESLQISHDQPRPGSHLTVSIGVSTLVPGGGGQTFRVLIE
MADQALYQAKNNGRNQVGLMEQ

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: 3bre Chain A Residue 359

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3bre Phosphorylation-independent regulation of the diguanylate cyclase WspR.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): D26 Q27 D70
• Binding residue (residue number reindexed from 1): D9 Q10 D53
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.7.65: diguanylate cyclase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding
• GO:0052621 diguanylate cyclase activity

Biological Process

• GO:0000160 phosphorelay signal transduction system
• GO:0043709 cell adhesion involved in single-species biofilm formation
• GO:1902201 negative regulation of bacterial-type flagellum-dependent cell motility

Cellular Component

• GO:0005886 plasma membrane

External links

• PDB: RCSB:3bre, PDBe:3bre, PDBj:3bre
• PDBsum: 3bre
• PubMed: 18366254
• UniProt: Q9HXT9