PDB entry 4g44

View 4g44 on RCSB PDB site
Description: Structure of P450 CYP121 in complex with lead compound MB286, 3-((1H-1,2,4-triazol-1-yl)methyl)aniline
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: P450, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2012-07-16, released 2012-09-05
The last revision prior to the SCOPe 2.06 freeze date was dated 2012-09-19, with a file datestamp of 2012-09-14.
Experiment type: XRAY
Resolution: 1.24 Å
R-factor: 0.162
AEROSPACI score: 0.8 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cytochrome P450 121
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: Rv2276
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4g44a_
  • Heterogens: HEM, SO4, TZM, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4g44A (A:)
    mtatvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrf
    smketaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtansl
    ldnlitegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaaki
    nwdrdieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgs
    flttalisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvr
    kgelvlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigie
    allkkmpgvdlavpidqlvwrtrfqrriperlpvlw
    

    Sequence, based on observed residues (ATOM records): (download)
    >4g44A (A:)
    tatvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrfs
    mketaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtansll
    dnlitegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaakin
    wdrdieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgsf
    lttalisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvrk
    gelvlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigiea
    llkkmpgvdlavpidqlvwrtrfqrriperlpvlw