Structure of PDB 6qrj Chain A Binding Site BS02

Receptor Information

>6qrj Chain A (length=463) Species: 190650 (Caulobacter vibrioides CB15)

VTPEQLATLSHEFRTPLNGVLGMARLLENTKLTAEQRSYVTALRESGDHL
LSLVNDVLHFARLGAAAIELSLAPVDIEGLLRQVAELMSPRAHEKGIEIA
WAVSSPLPTILADEGRLRQILLNFAGNAVKFTEAGGVLLTASAIDGGRVR
FSVADTGPGVAPDARARIFEAFVQTDGAGLGLAIVSRLSAAMGGAVGVGG
ELGQGAEFWFEAPFATAAAPLRAAPLEGRNVAIASPNAIVRAATARQIEA
AGGRAYAAVDIASALAGAPADAVLLIDAALSGPRGALKPPAGRRSVVLLT
PEQRDRIDRLKAAGFSGYLIKPLRAASLVAQVLQAVEPAHDDRIAGAVAS
GARVLLAEDNPINALLARTLLEREGCIVDRVADGEQAIAAASAGVYDLIL
MDLRMPGLTGIEAARALRAKGVATPIAALTADRRTCLAAGMDDFLVKPLT
QEALRDALKRWTT

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: 6qrj Chain A Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6qrj Hybrid histidine kinase activation by cyclic di-GMP-mediated domain liberation.
• Resolution: 2.65 Å
• Binding residue (original residue number in PDB): N139 K142
• Binding residue (residue number reindexed from 1): N127 K130
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 2.7.13.3: histidine kinase.

Gene Ontology

Molecular Function

• GO:0000155 phosphorelay sensor kinase activity
• GO:0000166 nucleotide binding
• GO:0004673 protein histidine kinase activity
• GO:0016301 kinase activity
• GO:0016772 transferase activity, transferring phosphorus-containing groups
• GO:0046872 metal ion binding

Biological Process

• GO:0000160 phosphorelay signal transduction system
• GO:0007165 signal transduction
• GO:0016310 phosphorylation
• GO:0018106 peptidyl-histidine phosphorylation

External links

• PDB: RCSB:6qrj, PDBe:6qrj, PDBj:6qrj
• PDBsum: 6qrj
• PubMed: 31882446
• UniProt: Q9ABT2