PDB entry 3uuo

View 3uuo on RCSB PDB site
Description: The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia
Class: hydrolase/hydrolase inhibitor
Keywords: INHIBITOR COMPLEX, HYDROLASE, ZN BINDING, MG BINDING, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2011-11-28, released 2012-01-25
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-01-25, with a file datestamp of 2012-01-20.
Experiment type: XRAY
Resolution: 2.11 Å
R-factor: 0.197
AEROSPACI score: 0.42 (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: d3uuoa_
  • 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: d3uuob_
  • Heterogens: 0CV, MG, ZN, PO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3uuoA (A:)
    gshmgmeklsyhshmsictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvym
    vhrscgtscfeleklcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdler
    kglliaclchdldhrgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifst
    lssseyeqvleiirkaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtac
    dlcsvtklwpvtkltandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynav
    aipcyttltqilpptepllkacrdnlsqwekvirgee
    

    Sequence, based on observed residues (ATOM records): (download)
    >3uuoA (A:)
    pvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrfimsvkknyrrvpy
    hnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfsnsylqkfdhplaa
    lyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaiiatdlalyfgnrkq
    leemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltandiyaefwaegdemk
    klgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepllkacrdnlsqwek
    virge
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3uuoB (B:)
    gshmgmeklsyhshmsictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvym
    vhrscgtscfeleklcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdler
    kglliaclchdldhrgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifst
    lssseyeqvleiirkaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtac
    dlcsvtklwpvtkltandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynav
    aipcyttltqilpptepllkacrdnlsqwekvirgee
    

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