PDB entry 4hf4

View 4hf4 on RCSB PDB site
Description: Crystal Structure of PDE10A with a biaryl ether inhibitor (1-(1-(3-(4-(benzo[d]thiazol-2-ylamino)phenoxy)pyrazin-2-yl)piperidin-4-yl)ethanol)
Class: hydrolase/hydrolase inhibitor
Keywords: PDE10A, phosphodiesterase 10A, biaryl ethers, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2012-10-04, released 2012-12-12
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-12-12, with a file datestamp of 2012-12-07.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.177
AEROSPACI score: 0.49 (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: d4hf4a_
  • 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: d4hf4b_
  • Heterogens: ZN, SO4, GOL, 15H, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4hf4A (A:)
    tseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrf
    imsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfs
    nsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaii
    atdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltand
    iyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepl
    lkacrdnlsqwekvirge
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4hf4B (B:)
    tseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrf
    imsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfs
    nsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaii
    atdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltand
    iyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepl
    lkacrdnlsqwekvirge
    

    Sequence, based on observed residues (ATOM records): (download)
    >4hf4B (B:)
    ftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrfimsvkknyrr
    vpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfsnsylqkfdhp
    laalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaiiatdlalyfgn
    rkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltandiyaefwaegd
    emkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepllkacrdnlsq
    wekvirge