PDB entry 3ws9

View 3ws9 on RCSB PDB site
Description: Crystal structure of PDE10A in complex with a benzimdazole inhibitor
Class: hydrolase/hydrolase inhibitor
Keywords: phosphodiesterase, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2014-03-04, released 2014-06-04
The last revision prior to the SCOPe 2.08 freeze date was dated 2014-06-04, with a file datestamp of 2014-05-30.
Experiment type: XRAY
Resolution: 2.99 Å
R-factor: 0.229
AEROSPACI score: 0.15 (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 (2-3)
    Domains in SCOPe 2.08: d3ws9a1, d3ws9a2
  • 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 (2-3)
    Domains in SCOPe 2.08: d3ws9b1, d3ws9b2
  • Heterogens: ZN, MG, X4D, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3ws9A (A:)
gshmsictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfe
leklcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchd
ldhrgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvle
iirkaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpv
tkltandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqi
lpptepllkacrdnlsqwekvirgeetatwisspsvaqkaaased

    Sequence, based on observed residues (ATOM records): (download) 
    >3ws9A (A:)
hmsictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfele
klcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdld
hrgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleii
rkaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtk
ltandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilp
ptepllkacrdnlsqwekvirgee

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3ws9B (B:)
gshmsictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfe
leklcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchd
ldhrgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvle
iirkaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpv
tkltandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqi
lpptepllkacrdnlsqwekvirgeetatwisspsvaqkaaased

    Sequence, based on observed residues (ATOM records): (download) 
    >3ws9B (B:)
hmsictseewqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfele
klcrfimsvkknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdld
hrgfsnsylqkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleii
rkaiiatdlalyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtk
ltandiyaefwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilp
ptepllkacrdnlsqwekvirgee