PDB entry 3nwe

View 3nwe on RCSB PDB site
Description: Rat COMT in complex with a methylated desoxyribose bisubstrate-containing inhibitor avoids hydroxyl group
Class: transferase/transferase inhibitor
Keywords: METHYLTRANSFERASE, NEUROTRANSMITTER DEGRADATION, ALTERNATIVE INITIATION, CATECHOLAMINE METABOLISM, CELL MEMBRANE, MAGNESIUM, MEMBRANE, METAL-BINDING, PHOSPHOPROTEIN, S-ADENOSYL-L-METHIONINE, SIGNAL-ANCHOR, TRANSMEMBRANE, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2010-07-09, released 2011-08-03
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-08, with a file datestamp of 2017-11-03.
Experiment type: XRAY
Resolution: 1.5 Å
R-factor: N/A
AEROSPACI score: 0.48 (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: d3nwea_
  • Heterogens: MG, CL, SO4, 662, NHE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3nweA (A:)
    mgdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireysps
    lvlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasq
    dlipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfl
    ayvrgsssfecthyssyleymkvvdglekaiyqgpsspdks
    

    Sequence, based on observed residues (ATOM records): (download)
    >3nweA (A:)
    dtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspslv
    lelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqdl
    ipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdflay
    vrgsssfecthyssyleymkvvdglekaiyqgp