PDB entry 4msn

View 4msn on RCSB PDB site
Description: Crystal structure of PDE10A2 with fragment ZT0451 (8-nitroquinoline)
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: 2.3 Å
R-factor: 0.234
AEROSPACI score: 0.26 (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: d4msna1, d4msna2
  • 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: d4msnb1, d4msnb2
  • Heterogens: 2ZQ, NI, HOH

PDB Chain Sequences:

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

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

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

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