PDB entry 5k0g

View 5k0g on RCSB PDB site
Description: Crystal Structure of COMT in complex with 4-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1,3-dimethylpyrazole
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: 1.89 Å
R-factor: N/A
AEROSPACI score: 0.34 (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-End)
      • engineered mutation (89)
      • engineered mutation (93)
      • engineered mutation (154)
    Domains in SCOPe 2.07: d5k0ga_
  • Chain 'B':
    Compound: Catechol O-methyltransferase
    Species: Rattus norvegicus [TaxId:10116]
    Gene: COMT
    Database cross-references and differences (RAF-indexed):
    • Uniprot P22734 (0-219)
      • engineered mutation (89)
      • engineered mutation (93)
      • engineered mutation (154)
    Domains in SCOPe 2.07: d5k0gb_
  • Heterogens: NHE, 6PM, NA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5k0gA (A:)
    gdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspsl
    vlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqd
    lipqlkkkydvdtldmvfldhwkdrylpdtllleecgllrkgtvlladnvivpgtpdfla
    yvrgsssfecthyssyleymkvvdglekaiyqgpsspdks
    

    Sequence, based on observed residues (ATOM records): (download)
    >5k0gA (A:)
    gdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspsl
    vlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqd
    lipqlkkkydvdtldmvfldhwkdrylpdtllleecgllrkgtvlladnvivpgtpdfla
    yvrgsssfecthyssyleymkvvdglekaiyqgpsspdk
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >5k0gB (B:)
    gdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspsl
    vlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqd
    lipqlkkkydvdtldmvfldhwkdrylpdtllleecgllrkgtvlladnvivpgtpdfla
    yvrgsssfecthyssyleymkvvdglekaiyqgpsspdks