PDB entry 4llj

View 4llj on RCSB PDB site
Description: Crystal structure of PDE10A2 with fragment ZT214
Class: hydrolase/hydrolase inhibitor
Keywords: fragment screening, hydrolase, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2013-07-09, released 2014-02-26
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-03-26, with a file datestamp of 2014-03-21.
Experiment type: XRAY
Resolution: 1.56 Å
R-factor: 0.21
AEROSPACI score: 0.5 (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 (4-End)
      • expression tag (2-3)
    Domains in SCOPe 2.07: d4llja1, d4llja2
  • 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):
    • Uniprot Q9Y233 (4-End)
      • expression tag (3)
    Domains in SCOPe 2.07: d4lljb1, d4lljb2
  • Heterogens: 1XN, NI, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4lljA (A:)
    gagtsictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfe
    leklcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchd
    ldhrgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvle
    iirkaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpv
    tkltandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqi
    lpptepllkacrdnlsqwekvirgeetatwisspsvaqkaaased
    

    Sequence, based on observed residues (ATOM records): (download)
    >4lljA (A:)
    gtsictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfele
    klcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdld
    hrgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleii
    rkaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtk
    ltandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilp
    ptepllkacrdnlsqwekvirgeetatwi
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4lljB (B:)
    gagtsictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfe
    leklcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchd
    ldhrgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvle
    iirkaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpv
    tkltandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqi
    lpptepllkacrdnlsqwekvirgeetatwisspsvaqkaaased
    

    Sequence, based on observed residues (ATOM records): (download)
    >4lljB (B:)
    tsictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfelek
    lcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldh
    rgfsnsylqkflaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkai
    iatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltan
    diyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptep
    llkacrdnlsqwekvirgeeta