PDB entry 5p8w

View 5p8w on RCSB PDB site
Description: Crystal Structure of COMT in complex with [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]methanamine
Class: transferase
Keywords: methyltransferase, neurotransmitter degradation, transferase
Deposited on 2016-08-25, released 2016-09-07
The last revision prior to the SCOPe 2.07 freeze date was dated 2016-09-07, with a file datestamp of 2016-09-02.
Experiment type: XRAY
Resolution: 2.03 Å
R-factor: N/A
AEROSPACI score: 0.31 (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: d5p8wa_
  • Chain 'B':
    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: d5p8wb_
  • Chain 'C':
    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: d5p8wc_
  • Heterogens: DTT, O01, FMT, NA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5p8wA (A:)
    mgdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireysps
    lvlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasq
    dlipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfl
    ayvrgsssfecthyssyleymkvvdglekaiyqgpsspdks
    

    Sequence, based on observed residues (ATOM records): (download)
    >5p8wA (A:)
    gdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspsl
    vlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqd
    lipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfla
    yvrgsssfecthyssyleymkvvdglekaiyqgps
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5p8wB (B:)
    mgdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireysps
    lvlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasq
    dlipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfl
    ayvrgsssfecthyssyleymkvvdglekaiyqgpsspdks
    

    Sequence, based on observed residues (ATOM records): (download)
    >5p8wB (B:)
    dtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspslv
    lelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqdl
    ipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdflay
    vrgsssfecthyssyleymkvvdglekaiyqgp
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5p8wC (C:)
    mgdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireysps
    lvlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasq
    dlipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfl
    ayvrgsssfecthyssyleymkvvdglekaiyqgpsspdks
    

    Sequence, based on observed residues (ATOM records): (download)
    >5p8wC (C:)
    dtkeqrilryvqqnakpgdpqsvleaidtyctqkamnvgdakgqimdavireyspslvle
    lgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqdlip
    qlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdflayvr
    gsssfecthyssyleymkvvdglekaiyqgps