PDB entry 3kga

View 3kga on RCSB PDB site
Description: Crystal structure of MAPKAP kinase 2 (MK2) complexed with a potent 3-aminopyrazole ATP site inhibitor
Class: transferase
Keywords: Small molecule inhibitor, 3-aminopyrazole scaffold, Scaffold hoping, ATP-site kinase inhibitor, Induced fit, Novel hydrophobic pocket, Activation loop deletion, Alternative splicing, ATP-binding, Kinase, Nucleotide-binding, Phosphoprotein, Polymorphism, Serine/threonine-protein kinase, Transferase
Deposited on 2009-10-28, released 2010-01-26
The last revision prior to the SCOPe 2.03 freeze date was dated 2010-02-16, with a file datestamp of 2010-02-12.
Experiment type: XRAY
Resolution: 2.55 Å
R-factor: 0.183
AEROSPACI score: 0.33 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: MAP kinase-activated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: MAPKAPK2
    Database cross-references and differences (RAF-indexed):
    • Uniprot P49137 (2-298)
      • engineered (171)
    Domains in SCOPe 2.03: d3kgaa_
  • Heterogens: MG, LX9, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3kgaA (A:)
    gphvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpkarre
    velhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqaftereas
    eimksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettgekydkscd
    mwslgvimyillcgyppfysnhglaispgmktrirmgqyefpnpewsevseevkmlirnl
    lkteptqrmtitefmnhpwimqstkvpqtplhtsrvlkedkerwedvkeemtsalatmr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3kgaA (A:)
    hvksglqikknaiiddykvtsqvlglgingkvlqifnkrtqekfalkmlqdcpkarreve
    lhwrasqcphivrivdvyenlyagrkcllivmecldggelfsriqdrgdqaftereasei
    mksigeaiqylhsiniahrdvkpenllytskrpnailkltdfgfakettgekydkscdmw
    slgvimyillcgyppfyspgmktrirmgqyefpnpewsevseevkmlirnllkteptqrm
    titefmnhpwimqstkvpqtplhtsrvlkedkerwedvkeemtsalatmr