PDB entry 4ys7

View 4ys7 on RCSB PDB site
Description: Co-crystal structure of 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline (compound 39) with PDE10A
Class: hydrolase/hydrolase inhibitor
Keywords: PDE10A, inhibitor, co-crystal, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2015-03-16, released 2015-04-29
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-22, with a file datestamp of 2017-11-17.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: N/A
AEROSPACI score: 0.2 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
    Species: Homo sapiens [TaxId:9606]
    Gene: PDE10A
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9Y233 (1-321)
      • expression tag (0)
    Domains in SCOPe 2.07: d4ys7a1, d4ys7a2
  • Chain 'B':
    Compound: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
    Species: Homo sapiens [TaxId:9606]
    Gene: PDE10A
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4ys7b_
  • Heterogens: ZN, MG, 4GK, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4ys7A (A:)
    asictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfelek
    lcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldh
    rgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiir
    kaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkl
    tandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpp
    tepllkacrdnlsqwekvirge
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4ys7B (B:)
    asictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfelek
    lcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldh
    rgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiir
    kaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkl
    tandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpp
    tepllkacrdnlsqwekvirge
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ys7B (B:)
    seewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrfi
    msvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfsn
    sylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaiia
    tdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltandi
    yaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepll
    kacrdnlsqwekvirge