PDB entry 3ui7

View 3ui7 on RCSB PDB site
Description: Discovery of orally active pyrazoloquinoline as a potent PDE10 inhibitor for the management of schizophrenia
Class: hydrolase/hydrolase inhibitor
Keywords: INHIBITOR COMPLEX, HYDROLASE, ZN BINDING, MG BINDING, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2011-11-04, released 2011-12-21
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-01-11, with a file datestamp of 2012-01-06.
Experiment type: XRAY
Resolution: 2.28 Å
R-factor: 0.197
AEROSPACI score: 0.36 (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: d3ui7a_
  • 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: d3ui7b_
  • Heterogens: C1L, MG, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3ui7A (A:)
    gmeklsyhshmsictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrs
    cgtscfeleklcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkgll
    iaclchdldhrgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlsss
    eyeqvleiirkaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcs
    vtklwpvtkltandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipc
    yttltqilpptepllkacrdnlsqwekvirgee
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ui7A (A:)
    wqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrfimsv
    kknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfsnsyl
    qkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaiiatdl
    alyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltandiyae
    fwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepllkac
    rdnlsqwekvirgee
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3ui7B (B:)
    gmeklsyhshmsictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrs
    cgtscfeleklcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkgll
    iaclchdldhrgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlsss
    eyeqvleiirkaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcs
    vtklwpvtkltandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipc
    yttltqilpptepllkacrdnlsqwekvirgee
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ui7B (B:)
    ewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrfims
    vkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfsnsy
    lqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaiiatd
    lalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltandiya
    efwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepllka
    crdnlsqwekvirge