PDB entry 3s68

View 3s68 on RCSB PDB site
Description: Rat COMT in complex with SAM and Tolcapone at 1.85A, P3221, Rfree=22.0
Class: transferase/transferase inhibitor
Keywords: METHYLTRANSFERASE, NEUROTRANSMITTER DEGRADATION, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2011-05-25, released 2012-02-01
The last revision prior to the SCOPe 2.05 freeze date was dated 2012-05-23, with a file datestamp of 2012-05-18.
Experiment type: XRAY
Resolution: 1.85 Å
R-factor: 0.17
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): Domains in SCOPe 2.05: d3s68a_
  • Heterogens: MG, SO4, CL, TCW, SAM, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3s68A (A:)
mgdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireysps
lvlelgaycgysavrmarllqpgarlltmemnpdyaaitqqmlnfaglqdkvtilngasq
dlipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfl
ayvrgsssfecthyssyleymkvvdglekaiyqgpsspdks

    Sequence, based on observed residues (ATOM records): (download) 
    >3s68A (A:)
dtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspslv
lelgaycgysavrmarllqpgarlltmemnpdyaaitqqmlnfaglqdkvtilngasqdl
ipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdflay
vrgsssfecthyssyleymkvvdglekaiyqgp