PDB entry 3r6t

View 3r6t on RCSB PDB site
Description: Rat catechol o-methyltransferase in complex with the bisubstrate inhibitor 4'-fluoro-4,5-dihydroxy-biphenyl-3-carboxylic acid {(E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-purin-9-yl)-tetrahydro-furan-2-yl]-allyl}-amide
Class: transferase/transferase inhibitor
Keywords: METHYLTRANSFERASE, NEUROTRANSMITTER DEGRADATION, ALTERNATIVE INITIATION, CATECHOLAMINE METABOLISM, METAL-BINDING, S-ADENOSYL-L-METHIONINE, TRANSMEMBRANE, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2011-03-22, released 2012-02-01
The last revision prior to the SCOPe 2.04 freeze date was dated 2012-04-11, with a file datestamp of 2012-04-06.
Experiment type: XRAY
Resolution: 1.2 Å
R-factor: 0.107
AEROSPACI score: 0.88 (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 2.04: d3r6ta_
• Heterogens: MG, CL, SO4, LU1, DTD, NHE, HOH

PDB Chain Sequences:

• Chain 'A':
  Sequence, based on SEQRES records: (download)
  

  >3r6tA (A:)
  mgdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireysps
  lvlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasq
  dlipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfl
  ayvrgsssfecthyssyleymkvvdglekaiyqgpsspdks
  

  
  Sequence, based on observed residues (ATOM records): (download)
  

  >3r6tA (A:)
  dtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspslv
  lelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqdl
  ipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdflay
  vrgsssfecthyssyleymkvvdglekaiyqgp