PDB entry 5k0l

View 5k0l on RCSB PDB site
Description: Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole
Class: transferase
Keywords: METHYLTRANSFERASE, NEUROTRANSMITTER DEGRADATION, CATECHOL, transferase
Deposited on 2016-05-17, released 2016-09-07
The last revision prior to the SCOPe 2.07 freeze date was dated 2016-12-21, with a file datestamp of 2016-12-16.
Experiment type: XRAY
Resolution: 2.02 Å
R-factor: N/A
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Catechol O-methyltransferase
    Species: Rattus norvegicus [TaxId:10116]
    Gene: COMT
    Database cross-references and differences (RAF-indexed):
    • Uniprot P22734 (0-218)
      • engineered mutation (89)
      • engineered mutation (93)
    Domains in SCOPe 2.07: d5k0la_
  • Chain 'B':
    Compound: Catechol O-methyltransferase
    Species: Rattus norvegicus [TaxId:10116]
    Gene: COMT
    Database cross-references and differences (RAF-indexed):
    • Uniprot P22734 (Start-218)
      • engineered mutation (89)
      • engineered mutation (93)
    Domains in SCOPe 2.07: d5k0lb_
  • Chain 'C':
    Compound: Catechol O-methyltransferase
    Species: Rattus norvegicus [TaxId:10116]
    Gene: COMT
    Database cross-references and differences (RAF-indexed):
    • Uniprot P22734 (0-218)
      • engineered mutation (89)
      • engineered mutation (93)
    Domains in SCOPe 2.07: d5k0lc_
  • Chain 'D':
    Compound: Catechol O-methyltransferase
    Species: Rattus norvegicus [TaxId:10116]
    Gene: COMT
    Database cross-references and differences (RAF-indexed):
    • Uniprot P22734 (0-218)
      • engineered mutation (89)
      • engineered mutation (93)
    Domains in SCOPe 2.07: d5k0ld_
  • Heterogens: MG, 6P2, NHE, K, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >5k0lA (A:)
    gdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspsl
    vlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqd
    lipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfla
    yvrgsssfecthyssyleymkvvdglekaiyqgpsspdk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5k0lB (B:)
    gdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspsl
    vlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqd
    lipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfla
    yvrgsssfecthyssyleymkvvdglekaiyqgpsspdk
    

    Sequence, based on observed residues (ATOM records): (download)
    >5k0lB (B:)
    dtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspslv
    lelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqdl
    ipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdflay
    vrgsssfecthyssyleymkvvdglekaiyqgpsspdk
    

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download)
    >5k0lC (C:)
    gdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspsl
    vlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqd
    lipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfla
    yvrgsssfecthyssyleymkvvdglekaiyqgpsspdk
    

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download)
    >5k0lD (D:)
    gdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspsl
    vlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqd
    lipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfla
    yvrgsssfecthyssyleymkvvdglekaiyqgpsspdk