Structure of PDB 5ckw Chain B Binding Site BS02

Receptor Information

>5ckw Chain B (length=400) Species: 297245 (Legionella pneumophila str. Lens)

TMKLLRFHELKSLPGMDEKALELLIKVLGNKGIRKLIKSADGKPISREIM
IHEFGIDCQILFITTEASLKPIIVPTENKISYCEQFKVYALDDGKTYFLK
SVKIDAESLTEFTNEKDTLSKLGRLVGTFFNEQTQVHYILTTFIKGIDLS
RYKNALPLNVNLKHFWEVLGIMISVCHQVKQFHELGLIHRDLKPGNIMLD
ADMQCHLVDFGSSSSDKEPKPASWGTASYLAPELNAQEDFIAFSQVSDLF
ALAYSLDELFNPFRQVKFAKVDIGIKNKHLVLLHAEIEACITGLMSNETS
VRTLYFSRILQLQRVPESFKSRPEAFTYLIMLLTQWKSCYEAPEMNKELD
EIIAEIKVAYENHEQDAVKIITLLEQLSKADGLLNSHKALLSVLIKSLAN

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: 5ckw Chain B Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ckw The structure of Legionella pneumophila LegK4 type four secretion system (T4SS) effector reveals a novel dimeric eukaryotic-like kinase.
• Resolution: 2.49 Å
• Binding residue (original residue number in PDB): N200 D213
• Binding residue (residue number reindexed from 1): N196 D209
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D195 K197 N200 D213 T230
• Catalytic site (residue number reindexed from 1): D191 K193 N196 D209 T226
• Enzyme Commision number: 2.7.11.1: non-specific serine/threonine protein kinase.

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:5ckw, PDBe:5ckw, PDBj:5ckw
• PDBsum: 5ckw
• PubMed: 26419332
• UniProt: Q5WZW9