PDB entry 5i2r

View 5i2r on RCSB PDB site
Description: human PDE10A in complex with 3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one
Class: hydrolase
Keywords: PHOSPHODIESTERASE, PDE10, hydrolase
Deposited on 2016-02-09, released 2016-03-09
The last revision prior to the SCOPe 2.07 freeze date was dated 2016-05-25, with a file datestamp of 2016-05-20.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: N/A
AEROSPACI score: 0.21 (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): Domains in SCOPe 2.07: d5i2ra_
  • 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): Domains in SCOPe 2.07: d5i2rb_
  • Chain 'C':
    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): Domains in SCOPe 2.07: d5i2rc_
  • Chain 'D':
    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 (1-End)
      • expression tag (0)
    Domains in SCOPe 2.07: d5i2rd1, d5i2rd2
  • Heterogens: ZN, MG, 67A, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5i2rA (A:)
    aqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrfimsv
    kknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfsnsyl
    qkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaiiatdl
    alyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltandiyae
    fwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepllkac
    rdnlsqwekvirgeetat
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i2rA (A:)
    glmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrfimsvkk
    nyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfsnsylqk
    fdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaiiatdlal
    yfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltandiyaefw
    aegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepllkacrd
    nlsqwekvirgee
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5i2rB (B:)
    aqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrfimsv
    kknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfsnsyl
    qkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaiiatdl
    alyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltandiyae
    fwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepllkac
    rdnlsqwekvirgeetat
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i2rB (B:)
    qglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrfimsvk
    knyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfsnsylq
    kfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaiiatdla
    lyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltandiyaef
    waegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepllkacr
    dnlsqwekvirgeetat
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5i2rC (C:)
    aqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrfimsv
    kknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfsnsyl
    qkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaiiatdl
    alyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltandiyae
    fwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepllkac
    rdnlsqwekvirgeetat
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i2rC (C:)
    glmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrfimsvkk
    nyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfsnsylqk
    fdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaiiatdlal
    yfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltandiyaefw
    aegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepllkacrd
    nlsqwekvirgee
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5i2rD (D:)
    aqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrfimsv
    kknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfsnsyl
    qkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaiiatdl
    alyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltandiyae
    fwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepllkac
    rdnlsqwekvirgeetat
    

    Sequence, based on observed residues (ATOM records): (download)
    >5i2rD (D:)
    aqglmqftlpvrlckeielfhfdigpfenmwpgifvymvhrscgtscfeleklcrfimsv
    kknyrrvpyhnwkhavtvahcmyailqnnhtlftdlerkglliaclchdldhrgfsnsyl
    qkfdhplaalyststmeqhhfsqtvsilqleghnifstlssseyeqvleiirkaiiatdl
    alyfgnrkqleemyqtgslnlnnqshrdrviglmmtacdlcsvtklwpvtkltandiyae
    fwaegdemkklgiqpipmmdrdkkdevpqgqlgfynavaipcyttltqilpptepllkac
    rdnlsqwekvirg