PDB entry 4ms0

View 4ms0 on RCSB PDB site
Description: Crystal structure of PDE10A2 with fragment ZT0443 (6-chloropyrimidine-2,4-diamine)
Class: hydrolase/hydrolase inhibitor
Keywords: fragment screening, hydrolase, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2013-09-18, released 2014-05-14
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-05-14, with a file datestamp of 2014-05-09.
Experiment type: XRAY
Resolution: 1.79 Å
R-factor: 0.254
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):
    • Uniprot Q9Y233 (4-End)
      • expression tag (1-3)
    Domains in SCOPe 2.07: d4ms0a1, d4ms0a2
  • 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: d4ms0b_
  • Heterogens: 2ZX, NI, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4ms0A (A:)
    gagtsictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfe
    leklcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchd
    ldhrgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvle
    iirkaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpv
    tkltandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqi
    lpptepllkacrdnlsqwekvirgeetatwisspsvaqkaaased
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ms0A (A:)
    agtsictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfel
    eklcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdl
    dhrgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvlei
    irkaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvt
    kltandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqil
    pptepllkacrdnlsqwekvirgeetatwi
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4ms0B (B:)
    gagtsictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfe
    leklcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchd
    ldhrgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvle
    iirkaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpv
    tkltandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqi
    lpptepllkacrdnlsqwekvirgeetatwisspsvaqkaaased
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ms0B (B:)
    sictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfelekl
    crfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhr
    gfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirk
    aiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtklt
    andiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilppt
    epllkacrdnlsqwekvirgeeta