PDB entry 5p8y

View 5p8y on RCSB PDB site
Description: humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[3-(pyrrolo[3,2-c]pyridin-1-ylmethoxy)propyl]benzamide at 1.42A
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 2.08 freeze date was dated 2018-02-21, with a file datestamp of 2018-02-16.
Experiment type: XRAY
Resolution: 1.42 Å
R-factor: N/A
AEROSPACI score: 0.52 (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 2.08: d5p8ya_
  • Heterogens: MG, CL, SO4, NHE, D1D, 763, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5p8yA (A:)
mgdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireysps
lvlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasq
dlipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfl
ayvrgsssfecthyssyleymkvvdglekaiyqgpsspdks

    Sequence, based on observed residues (ATOM records): (download) 
    >5p8yA (A:)
dtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspslv
lelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqdl
ipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdflay
vrgsssfecthyssyleymkvvdglekaiyqgp