Structure of PDB 4qpj Chain A Binding Site BS01

Receptor Information

>4qpj Chain A (length=208) Species: 359391 (Brucella abortus 2308)

SLPVTLSALDLGALLCSRICHDIISPIGAINNGLELLEEGGADEDAMALI
KSSARNASARLQFARIAFGAAGSAGVQIDTGDAQNVATEYFRNEKPEFTW
EGARVLLPKNKVKLLLNMLLIGNGAIPRGGSLAVRLEGSDTDPRFVITVK
GRMLRVPPKFLELHSGAAPEEPIDAHSVQPYYTLLLAEEAGMKISIHATA
EDIVFSAE

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 4qpj Chain A Residue 304

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4qpj Structural asymmetry in a conserved signaling system that regulates division, replication, and virulence of an intracellular pathogen.
• Resolution: 2.742 Å
• Binding residue (original residue number in PDB): F92 R93 E95 P97
• Binding residue (residue number reindexed from 1): F91 R92 E94 P96
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 2.7.99.-

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0042803 protein homodimerization activity

Biological Process

• GO:0000160 phosphorelay signal transduction system
• GO:0016310 phosphorylation
• GO:0018197 peptidyl-aspartic acid modification

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4qpj, PDBe:4qpj, PDBj:4qpj
• PDBsum: 4qpj
• PubMed: 26124143
• UniProt: Q2YQA5|CHPT_BRUA2 Protein phosphotransferase ChpT (Gene Name=chpT)