PDB entry 4p1r

View 4p1r on RCSB PDB site
Description: Crystal Structure of PDE10A with Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors
Class: hydrolase/hydrolase inbhitor
Keywords: HYDROLASE-HYDROLASE INHIBITOR COMPLEX, HYDROLASE-HYDROLASE INBHITOR complex
Deposited on 2014-02-27, released 2014-07-23
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-07-23, with a file datestamp of 2014-07-18.
Experiment type: XRAY
Resolution: 2.24 Å
R-factor: 0.155
AEROSPACI score: 0.37 (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: d4p1ra_
  • 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: d4p1rb_
  • Heterogens: ZN, SO4, GOL, 2KR, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4p1rA (A:)
    tseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrf
    imsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfs
    nsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaii
    atdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltand
    iyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepl
    lkacrdnlsqwekvirgeetatwisspsvaqkaaased
    

    Sequence, based on observed residues (ATOM records): (download)
    >4p1rA (A:)
    tseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrf
    imsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfs
    nsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaii
    atdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltand
    iyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepl
    lkacrdnlsqwekvirge
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4p1rB (B:)
    tseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrf
    imsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfs
    nsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaii
    atdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltand
    iyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepl
    lkacrdnlsqwekvirgeetatwisspsvaqkaaased
    

    Sequence, based on observed residues (ATOM records): (download)
    >4p1rB (B:)
    ftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrfimsvkknyrr
    vpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfsnsylqkfdhp
    laalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaiiatdlalyfgn
    rkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltandiyaefwaegd
    emkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepllkacrdnlsq
    wekvirge