PDB entry 4c4e

View 4c4e on RCSB PDB site
Description: Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1
Class: transferase
Keywords: transferase, mps1, ttk, protein kinase, mitosis, structure-based design
Deposited on 2013-09-05, released 2013-12-04
The last revision prior to the SCOPe 2.05 freeze date was dated 2014-01-15, with a file datestamp of 2014-01-10.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.1882
AEROSPACI score: 0.26 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Dual specificity protein kinase TTK
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P33981 (23-End)
      • expression tag (20-22)
    Domains in SCOPe 2.05: d4c4ea_
  • Heterogens: 4T9, 1PE, 7PE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4c4eA (A:)
    mhhhhhhssgvdlgtenlyfqsmsvkgriysilkqigsggsskvfqvlnekkqiyaikyv
    nleeadnqtldsyrneiaylnklqqhsdkiirlydyeitdqyiymvmecgnidlnswlkk
    kksidpwerksywknmleavhtihqhgivhsdlkpanflivdgmlklidfgianqmqpdt
    tsvvkdsqvgtvnymppeaikdmsssrengkskskispksdvwslgcilyymtygktpfq
    qiinqisklhaiidpnheiefpdipekdlqdvlkcclkrdpkqrisipellahpyvqiqt
    hpvnqmakgttee
    

    Sequence, based on observed residues (ATOM records): (download)
    >4c4eA (A:)
    qsmsvkgriysilkqigsggsskvfqvlnekkqiyaikyvnleeadnqtldsyrneiayl
    nklqqhsdkiirlydyeitdqyiymvmecgnidlnswlkkkksidpwerksywknmleav
    htihqhgivhsdlkpanflivdgmlklidfgianqmqpqvgtvnymppeaikdispksdv
    wslgcilyymtygktpfqqiinqisklhaiidpnheiefpdipekdlqdvlkcclkrdpk
    qrisipellahpyvqiq