PDB entry 5m4m

View 5m4m on RCSB PDB site
Description: Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
Class: transferase
Keywords: Off-Rate Screening, PDHK, HSP90, SPR, kinase inhibitors, fragment screening, cancer, PDK1, PDK2, PDK3, PDK4, Transferase
Deposited on 2016-10-18, released 2017-02-22
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-04-05, with a file datestamp of 2017-03-31.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: N/A
AEROSPACI score: 0.22 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: [pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: PDK2, PDHK2
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q15119
      • insertion (15)
    Domains in SCOPe 2.07: d5m4ma1, d5m4ma2
  • Heterogens: 7FW, TF3, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5m4mA (A:)
mrwvwallknaslagsapkyiehfskfspsplsmkqfldfgssnacektsftflrqelpv
rlanimkeinllpdrvlstpsvqlvqswyvqslldimefldkdpedhrtlsqftdalvti
rnrhndvvptmaqgvleykdtygddpvsnqniqyfldrfylsrisirmlinqhtlifdgs
tnpahpkhigsidpncnvsevvkdaydmakllcdkyymaspdleiqeinaanskqpihmv
yvpshlyhmlfelfknamratveshesslilppikvmvalgeedlsikmsdrgggvplrk
ierlfsymystaptpqpgtggtplagfgyglpisrlyakyfqgdlqlfsmegfgtdaviy
lkalstdsverlpvynksawrhyqtiqeagdwcvpstepkntstyrvs

    Sequence, based on observed residues (ATOM records): (download) 
    >5m4mA (A:)
gsapkyiehfskfspsplsmkqfldfgsnacektsftflrqelpvrlanimkeinllpdr
vlstpsvqlvqswyvqslldimefldkdpedhrtlsqftdalvtirnrhndvvptmaqgv
leykdtygddpvsnqniqyfldrfylsrisirmlinqhtlifdpkhigsidpncnvsevv
kdaydmakllcdkyymaspdleiqeinaanskqpihmvyvpshlyhmlfelfknamratv
eshesslilppikvmvalgeedlsikmsdrgggvplrkierlfsymystapplagfgygl
pisrlyakyfqgdlqlfsmegfgtdaviylkalstdsverlpvy