PDB entry 4mrw

View 4mrw on RCSB PDB site
Description: Crystal structure of PDE10A2 with fragment ZT0120 (7-chloroquinolin-4-ol)
Class: hydrolase/hydrolase inhibitor
Keywords: fragment screening, hydrolase, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2013-09-17, 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: 1.96 Å
R-factor: 0.23
AEROSPACI score: 0.35 (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: d4mrwa1, d4mrwa2
  • 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: d4mrwb1, d4mrwb2
  • Heterogens: MRW, NI, HOH

PDB Chain Sequences:

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

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

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

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