PDB entry 4v25

View 4v25 on RCSB PDB site
Description: VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells
Class: transferase
Keywords: transferase, glycolysis, warburg metabolism, nov3r
Deposited on 2014-10-06, released 2014-12-03
The last revision prior to the SCOPe 2.06 freeze date was dated 2015-01-28, with a file datestamp of 2015-01-23.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.20132
AEROSPACI score: 0.23 (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]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q15119
      • insertion (15)
    Domains in SCOPe 2.06: d4v25a1, d4v25a2
  • Heterogens: TF3, MG, SZ6, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4v25A (A:)
mrwvwallknaslagsapkyiehfskfspsplsmkqfldfgssnacektsftflrqelpv
rlanimkeinllpdrvlstpsvqlvqswyvqslldimefldkdpedhrtlsqftdalvti
rnrhndvvptmaqgvleykdtygddpvsnqniqyfldrfylsrisirmlinqhtlifdgs
tnpahpkhigsidpncnvsevvkdaydmakllcdkyymaspdleiqeinaanskqpihmv
yvpshlyhmlfelfknamratveshesslilppikvmvalgeedlsikmsdrgggvplrk
ierlfsymystaptpqpgtggtplagfgyglpisrlyakyfqgdlqlfsmegfgtdaviy
lkalstdsverlpvynksawrhyqtiqeagdwcvpstepkntstyrvs

    Sequence, based on observed residues (ATOM records): (download) 
    >4v25A (A:)
gsapkyiehfskfspsplsmkqfldfgsacektsftflrqelpvrlanimkeinllpdrv
lstpsvqlvqswyvqslldimefldkdpedhrtlsqftdalvtirnrhndvvptmaqgvl
eykdtygddpvsnqniqyfldrfylsrisirmlinqhtlifdpkhigsidpncnvsevvk
daydmakllcdkyymaspdleiqeinaanskqpihmvyvpshlyhmlfelfknamratve
shesslilppikvmvalgeedlsikmsdrgggvplrkierlfsymystapplagfgyglp
isrlyakyfqgdlqlfsmegfgtdaviylkalstdsverlpvy