PDB entry 4pyq

View 4pyq on RCSB PDB site
Description: Humanized rat apo-COMT in complex with a ureido-benzamidine
Class: Transferase/transferase inhibitor
Keywords: METHYLTRANSFERASE, NEUROTRANSMITTER DEGRADATION, ALTERNATIVE INITIATION, CATECHOLAMINE METABOLISM, CELL MEMBRANE, MAGNESIUM, MEMBRANE, METAL-BINDING, PHOSPHOPROTEIN, SIGNAL-ANCHOR, TRANSMEMBRANE ANCHOR, ENZYME MECHANISM, CONFORMATIONAL CHANGE, Transferase-transferase inhibitor complex
Deposited on 2014-03-27, released 2014-06-11
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-08-27, with a file datestamp of 2014-08-22.
Experiment type: XRAY
Resolution: 1.39 Å
R-factor: 0.143
AEROSPACI score: 0.64 (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: d4pyqa_
  • 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: d4pyqb_
  • Heterogens: 2X1, ACT, NA, SO4, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4pyqA (A:)
    mgdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireysps
    lvlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasq
    dlipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfl
    ayvrgsssfecthyssyleymkvvdglekaiyqgpsspdks
    

    Sequence, based on observed residues (ATOM records): (download)
    >4pyqA (A:)
    dtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspslv
    lelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqdl
    ipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdflay
    vrgsssfecthyssyleymkvvdglekaiyqgp
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4pyqB (B:)
    mgdtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireysps
    lvlelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasq
    dlipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdfl
    ayvrgsssfecthyssyleymkvvdglekaiyqgpsspdks
    

    Sequence, based on observed residues (ATOM records): (download)
    >4pyqB (B:)
    dtkeqrilryvqqnakpgdpqsvleaidtyctqkewamnvgdakgqimdavireyspslv
    lelgaycgysavrmarllqpgarlltmeinpdcaaitqqmlnfaglqdkvtilngasqdl
    ipqlkkkydvdtldmvfldhwkdrylpdtlllekcgllrkgtvlladnvivpgtpdflay
    vrgsssfecthyssyleymkvvdglekaiyqgp