PDB entry 4bbx

View 4bbx on RCSB PDB site
Description: Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia
Class: hydrolase
Keywords: phosphodiesterase inhibitor, inhibitor complex, hydrolase, zinc binding, magnesium binding
Deposited on 2012-09-28, released 2013-10-16
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-06-04, with a file datestamp of 2014-05-30.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.23704
AEROSPACI score: 0.22 (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]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4bbxa_
  • Chain 'B':
    Compound: camp and camp-inhibited cgmp 3', 5'-cyclic phosphodiesterase 10a
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4bbxb_
  • Heterogens: LKF, ZN, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4bbxA (A:)
    mgseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcr
    fimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgf
    snsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkai
    iatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltan
    diyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptep
    llkacrdnlsqwekvirgeetatwisspsrhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4bbxA (A:)
    glmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrfimsvkk
    nyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfsnsylqk
    fdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaiiatdlal
    yfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltandiyaefw
    aegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepllkacrd
    nlsqwekvirge
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4bbxB (B:)
    mgseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcr
    fimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgf
    snsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkai
    iatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltan
    diyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptep
    llkacrdnlsqwekvirgeetatwisspsrhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4bbxB (B:)
    glmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrfimsvkk
    nyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfsnsylqk
    fdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaiiatdlal
    yfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltandiyaefw
    aegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepllkacrd
    nlsqwekvirge