PDB entry 4msa

View 4msa on RCSB PDB site
Description: Crystal structure of PDE10A2 with fragment ZT0449 (5-nitro-1H-benzimidazole)
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: 1.62 Å
R-factor: 0.197
AEROSPACI score: 0.49 (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: d4msaa1, d4msaa2
  • 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: d4msab1, d4msab2
  • Heterogens: 2ZM, NI, HOH

PDB Chain Sequences:

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

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

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

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