PDB entry 5lr6

View 5lr6 on RCSB PDB site
Description: Crystal Structure of COMT in complex with [3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
Class: transferase
Keywords: methyltransferase, neurotransmitter degradation, transferase
Deposited on 2016-08-18, released 2016-08-31
The last revision prior to the SCOPe 2.07 freeze date was dated 2016-09-28, with a file datestamp of 2016-09-23.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: N/A
AEROSPACI score: 0.24 (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
      • conflict (90)
      • conflict (94)
    Domains in SCOPe 2.07: d5lr6a_
  • Chain 'B':
    Compound: Catechol O-methyltransferase
    Species: Rattus norvegicus [TaxId:10116]
    Gene: COMT
    Database cross-references and differences (RAF-indexed):
    • Uniprot P22734
      • conflict (90)
      • conflict (94)
    Domains in SCOPe 2.07: d5lr6b_
  • Chain 'C':
    Compound: Catechol O-methyltransferase
    Species: Rattus norvegicus [TaxId:10116]
    Gene: COMT
    Database cross-references and differences (RAF-indexed):
    • Uniprot P22734
      • conflict (90)
      • conflict (94)
    Domains in SCOPe 2.07: d5lr6c_
  • Chain 'D':
    Compound: Catechol O-methyltransferase
    Species: Rattus norvegicus [TaxId:10116]
    Gene: COMT
    Database cross-references and differences (RAF-indexed):
    • Uniprot P22734
      • conflict (90)
      • conflict (94)
    Domains in SCOPe 2.07: d5lr6d_
  • Heterogens: 731, NHE, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5lr6A (A:)
    mgdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireysps
    lvlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasq
    dlipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfl
    ayvrgsssfecthyssyleymkvvdglekaiyqgpsspdks
    

    Sequence, based on observed residues (ATOM records): (download)
    >5lr6A (A:)
    gdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamvgdakgqimdavireyspslv
    lelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqdl
    ipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdflay
    vrgsssfecthyssylmkvvdglekaiyqgps
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5lr6B (B:)
    mgdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireysps
    lvlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasq
    dlipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfl
    ayvrgsssfecthyssyleymkvvdglekaiyqgpsspdks
    

    Sequence, based on observed residues (ATOM records): (download)
    >5lr6B (B:)
    gdtkeqrilryvqqnakpgdpqsvleaidtyctqkewvgdakgqimdavireyspslvle
    lgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqdlip
    qlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdflayvr
    gsssfecthyssyleymkvvdglekaiyqgps
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5lr6C (C:)
    mgdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireysps
    lvlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasq
    dlipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfl
    ayvrgsssfecthyssyleymkvvdglekaiyqgpsspdks
    

    Sequence, based on observed residues (ATOM records): (download)
    >5lr6C (C:)
    dtkeqrilryvqqnakpgdpqsvleaidtyctqkewanvgdakgqimdavireyspslvl
    elgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqdli
    pqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdflayv
    rgsssfecthyssyleymkvvdglekaiyqgpss
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5lr6D (D:)
    mgdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireysps
    lvlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasq
    dlipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfl
    ayvrgsssfecthyssyleymkvvdglekaiyqgpsspdks
    

    Sequence, based on observed residues (ATOM records): (download)
    >5lr6D (D:)
    gdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspsl
    vlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqd
    lipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfla
    yvrgsssfecthyssyleymkvvdglekaiyqgp