PDB entry 4c4i

View 4c4i on RCSB PDB site
Description: Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1
Class: transferase
Keywords: transferase, mitosis, structure-based drug design
Deposited on 2013-09-05, released 2013-12-04
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-01-15, with a file datestamp of 2014-01-10.
Experiment type: XRAY
Resolution: 2.65 Å
R-factor: 0.1924
AEROSPACI score: 0.24 (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 2.06: d4c4ia1, d4c4ia2
  • Heterogens: X20, 7PE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4c4iA (A:)
mhhhhhhssgvdlgtenlyfqsmsvkgriysilkqigsggsskvfqvlnekkqiyaikyv
nleeadnqtldsyrneiaylnklqqhsdkiirlydyeitdqyiymvmecgnidlnswlkk
kksidpwerksywknmleavhtihqhgivhsdlkpanflivdgmlklidfgianqmqpdt
tsvvkdsqvgtvnymppeaikdmsssrengkskskispksdvwslgcilyymtygktpfq
qiinqisklhaiidpnheiefpdipekdlqdvlkcclkrdpkqrisipellahpyvqiqt
hpvnqmakgttee

    Sequence, based on observed residues (ATOM records): (download) 
    >4c4iA (A:)
qsmsvkgriysilkqigsggsskvfqvlnekkqiyaikyvnleeadnqtldsyrneiayl
nklqqhsdkiirlydyeitdqyiymvmecgnidlnswlkkkksidpwerksywknmleav
htihqhgivhsdlkpanflivdgmlklidfgianqmtvnymppeaikdmispksdvwslg
cilyymtygktpfqqiinqisklhaiidpnheiefpdipekdlqdvlkcclkrdpkqris
ipellahpyvqiq