PDB entry 4mse

View 4mse on RCSB PDB site
Description: Crystal structure of PDE10A2 with fragment ZT1597 (2-({[(2S)-2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl]oxy}methyl)quinoline)
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 2.08 freeze date was dated 2014-05-14, with a file datestamp of 2014-05-09.
Experiment type: XRAY
Resolution: 2.81 Å
R-factor: 0.274
AEROSPACI score: 0.13 (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 2.08: d4msea1, d4msea2
  • 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 2.08: d4mseb1, d4mseb2
  • Heterogens: 2ZU, NI

PDB Chain Sequences:

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

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

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

    Sequence, based on observed residues (ATOM records): (download)
    >4mseB (B:)
    tsictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfelek
    lcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldh
    rgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiir
    kaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkl
    tandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpp
    tepllkacrdnlsqwekvirgeetatw