PDB entry 2ij7

View 2ij7 on RCSB PDB site
Description: Structure of Mycobacterium tuberculosis CYP121 in complex with the antifungal drug fluconazole
Class: oxidoreductase
Keywords: tuberculosis, cytochrome P450, P450 CYP121, fluconazole, azole drug, OXIDOREDUCTASE
Deposited on 2006-09-29, released 2006-11-07
The last revision prior to the SCOPe 2.06 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.17
AEROSPACI score: 0.5 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cytochrome P450 121
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: cyp121
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d2ij7a_
  • Chain 'B':
    Compound: Cytochrome P450 121
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: cyp121
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d2ij7b_
  • Chain 'C':
    Compound: Cytochrome P450 121
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: cyp121
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d2ij7c_
  • Chain 'D':
    Compound: Cytochrome P450 121
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: cyp121
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d2ij7d_
  • Chain 'E':
    Compound: Cytochrome P450 121
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: cyp121
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d2ij7e_
  • Chain 'F':
    Compound: Cytochrome P450 121
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: cyp121
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d2ij7f_
  • Heterogens: HEM, TPF, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2ij7A (A:)
    mtatvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrf
    smketaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtansl
    ldnlitegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaaki
    nwdrdieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgs
    flttalisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvr
    kgelvlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigie
    allkkmpgvdlavpidqlvwrtrfqrriperlpvlw
    

    Sequence, based on observed residues (ATOM records): (download)
    >2ij7A (A:)
    llevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrfsmket
    aaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtanslldnli
    tegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaakinwdrd
    ieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgsfltta
    lisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvrkgelv
    lvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigieallkk
    mpgvdlavpidqlvwrtrfqrriperlpvlw
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2ij7B (B:)
    mtatvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrf
    smketaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtansl
    ldnlitegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaaki
    nwdrdieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgs
    flttalisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvr
    kgelvlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigie
    allkkmpgvdlavpidqlvwrtrfqrriperlpvlw
    

    Sequence, based on observed residues (ATOM records): (download)
    >2ij7B (B:)
    llevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrfsmket
    aaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtanslldnli
    tegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaakinwdrd
    ieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgsfltta
    lisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvrkgelv
    lvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigieallkk
    mpgvdlavpidqlvwrtrfqrriperlpvlw
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >2ij7C (C:)
    mtatvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrf
    smketaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtansl
    ldnlitegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaaki
    nwdrdieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgs
    flttalisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvr
    kgelvlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigie
    allkkmpgvdlavpidqlvwrtrfqrriperlpvlw
    

    Sequence, based on observed residues (ATOM records): (download)
    >2ij7C (C:)
    llevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrfsmket
    aaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtanslldnli
    tegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaakinwdrd
    ieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgsfltta
    lisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvrkgelv
    lvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigieallkk
    mpgvdlavpidqlvwrtrfqrriperlpvlw
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >2ij7D (D:)
    mtatvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrf
    smketaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtansl
    ldnlitegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaaki
    nwdrdieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgs
    flttalisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvr
    kgelvlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigie
    allkkmpgvdlavpidqlvwrtrfqrriperlpvlw
    

    Sequence, based on observed residues (ATOM records): (download)
    >2ij7D (D:)
    llevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrfsmket
    aaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtanslldnli
    tegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaakinwdrd
    ieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgsfltta
    lisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvrkgelv
    lvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigieallkk
    mpgvdlavpidqlvwrtrfqrriperlpvlw
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >2ij7E (E:)
    mtatvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrf
    smketaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtansl
    ldnlitegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaaki
    nwdrdieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgs
    flttalisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvr
    kgelvlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigie
    allkkmpgvdlavpidqlvwrtrfqrriperlpvlw
    

    Sequence, based on observed residues (ATOM records): (download)
    >2ij7E (E:)
    llevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrfsmket
    aaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtanslldnli
    tegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaakinwdrd
    ieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgsfltta
    lisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvrkgelv
    lvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigieallkk
    mpgvdlavpidqlvwrtrfqrriperlpvlw
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >2ij7F (F:)
    mtatvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrf
    smketaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtansl
    ldnlitegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaaki
    nwdrdieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgs
    flttalisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvr
    kgelvlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigie
    allkkmpgvdlavpidqlvwrtrfqrriperlpvlw
    

    Sequence, based on observed residues (ATOM records): (download)
    >2ij7F (F:)
    llevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrfsmket
    aaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtanslldnli
    tegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaakinwdrd
    ieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgsfltta
    lisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvrkgelv
    lvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigieallkk
    mpgvdlavpidqlvwrtrfqrriperlpvlw