PDB entry 4dff

View 4dff on RCSB PDB site
Description: The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia
Class: hydrolase/hydrolase inhibitor
Keywords: Zn binding, Mg binding, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2012-01-23, released 2012-03-14
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-04-04, with a file datestamp of 2012-03-30.
Experiment type: XRAY
Resolution: 2.11 Å
R-factor: 0.192
AEROSPACI score: 0.45 (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): Domains in SCOPe 2.07: d4dffa_
  • 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: d4dffb_
  • Heterogens: MG, ZN, 0JP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4dffA (A:)
    gmeklsyhshmsictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrs
    cgtscfeleklcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkgll
    iaclchdldhrgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlsss
    eyeqvleiirkaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcs
    vtklwpvtkltandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipc
    yttltqilpptepllkacrdnlsqwekvirgeetatwisspsvaqkaaased
    

    Sequence, based on observed residues (ATOM records): (download)
    >4dffA (A:)
    tlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrfimsvkknyrrv
    pyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfsnsylqkfdhpl
    aalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaiiatdlalyfgnr
    kqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltandiyaefwaegde
    mkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepllkacrdnlsqw
    ekvirge
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4dffB (B:)
    gmeklsyhshmsictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrs
    cgtscfeleklcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkgll
    iaclchdldhrgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlsss
    eyeqvleiirkaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcs
    vtklwpvtkltandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipc
    yttltqilpptepllkacrdnlsqwekvirgeetatwisspsvaqkaaased
    

    Sequence, based on observed residues (ATOM records): (download)
    >4dffB (B:)
    eielfhfdigpfenmwpgifvymvhrscgtscfeleklcrfimsvkknyrrvpyhnwkha
    vtvahcmyailqnnhtlftdlerkglliaclchdldhrgfsnsylstmeqhhfsqtvsil
    qleghnifstlssseyeqvleiirkaiiatdlalyfgnrkqleemyqtgslnlnnqshrd
    rviglmmtacdlcsvtklwpvtkltandiyaefwaegdpipmmdrkkdevpqgqlgfyna
    vaipcyttltqilpptepllkacrdnlsqwekvirge