PDB entry 5p91

View 5p91 on RCSB PDB site
Description: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[2-[5-(2-methylpyridin-4-yl)-4H-1,2,4-triazol-3-yl]ethyl]benzamide at 1.20A
Class: TRANSFERASE/TRANSFERASE inhibitor
Keywords: METHYLTRANSFERASE, NEUROTRANSMITTER DEGRADATION, TRANSFERASE, TRANSFERASE-TRANSFERASE inhibitor complex
Deposited on 2016-08-29, released 2017-08-30
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-08-30, with a file datestamp of 2017-08-25.
Experiment type: XRAY
Resolution: 1.2 Å
R-factor: N/A
AEROSPACI score: 0.65 (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
      • engineered mutation (90)
      • engineered mutation (94)
    Domains in SCOPe 2.07: d5p91a_
  • Heterogens: MG, CL, NHE, SO4, 76B, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5p91A (A:)
    mgdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireysps
    lvlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasq
    dlipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfl
    ayvrgsssfecthyssyleymkvvdglekaiyqgpsspdks
    

    Sequence, based on observed residues (ATOM records): (download)
    >5p91A (A:)
    dtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspslv
    lelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqdl
    ipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdflay
    vrgsssfecthyssyleymkvvdglekaiyqgp