PDB entry 5p8x

View 5p8x on RCSB PDB site
Description: humanized rat catechol O-methyltransferase in complex with N-[2-[5-(1H-benzimidazol-5-yl)-4H-1,2,4-triazol-3-yl]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide at 1.31A
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: 1.31 Å
R-factor: N/A
AEROSPACI score: 0.58 (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: d5p8xa_
  • Heterogens: MG, CL, SO4, 75Z, NHE, D1D, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5p8xA (A:)
    mgdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireysps
    lvlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasq
    dlipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfl
    ayvrgsssfecthyssyleymkvvdglekaiyqgpsspdks
    

    Sequence, based on observed residues (ATOM records): (download)
    >5p8xA (A:)
    dtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspslv
    lelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqdl
    ipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdflay
    vrgsssfecthyssyleymkvvdglekaiyqgp