PDB entry 2ij5

View 2ij5 on RCSB PDB site
Description: Crystal structure of cytochrome P450 CYP121, P212121 space group
Class: oxidoreductase
Keywords: tuberculosis, CYP121, cytochrome P450, azole ligation, fluconazole
Deposited on 2006-09-29, released 2006-11-07
The last revision prior to the SCOP 1.75 freeze date was dated 2007-05-08, with a file datestamp of 2007-06-04.
Experiment type: XRAY
Resolution: 1.6 Å
R-factor: 0.167
AEROSPACI score: 0.73 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cytochrome P450 121
    Species: Mycobacterium tuberculosis
    Gene: cyp121
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d2ij5a1
  • Chain 'B':
    Compound: Cytochrome P450 121
    Species: Mycobacterium tuberculosis
    Gene: cyp121
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d2ij5b1
  • Chain 'C':
    Compound: Cytochrome P450 121
    Species: Mycobacterium tuberculosis
    Gene: cyp121
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d2ij5c1
  • Chain 'D':
    Compound: Cytochrome P450 121
    Species: Mycobacterium tuberculosis
    Gene: cyp121
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d2ij5d1
  • Chain 'E':
    Compound: Cytochrome P450 121
    Species: Mycobacterium tuberculosis
    Gene: cyp121
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d2ij5e1
  • Chain 'F':
    Compound: Cytochrome P450 121
    Species: Mycobacterium tuberculosis
    Gene: cyp121
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d2ij5f1
  • Heterogens: SO4, HEM, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2ij5A (A:)
    mtatvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrf
    smketaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtansl
    ldnlitegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaaki
    nwdrdieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgs
    flttalisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvr
    kgelvlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigie
    allkkmpgvdlavpidqlvwrtrfqrriperlpvlw
    

    Sequence, based on observed residues (ATOM records): (download)
    >2ij5A (A:)
    vllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrfsmke
    taaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtanslldnl
    itegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaakinwdr
    dieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgsfltt
    alisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvrkgel
    vlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigieallk
    kmpgvdlavpidqlvwrtrfqrriperlpvlw
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2ij5B (B:)
    mtatvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrf
    smketaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtansl
    ldnlitegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaaki
    nwdrdieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgs
    flttalisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvr
    kgelvlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigie
    allkkmpgvdlavpidqlvwrtrfqrriperlpvlw
    

    Sequence, based on observed residues (ATOM records): (download)
    >2ij5B (B:)
    tvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrfsmk
    etaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtanslldn
    litegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaakinwd
    rdieymagilenpnittglmgelsrlrayshvsdelfatigvtffgagvistgsflttal
    isliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvrkgelvl
    vlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigieallkkm
    pgvdlavpidqlvwrtrfqrriperlpvlw
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >2ij5C (C:)
    mtatvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrf
    smketaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtansl
    ldnlitegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaaki
    nwdrdieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgs
    flttalisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvr
    kgelvlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigie
    allkkmpgvdlavpidqlvwrtrfqrriperlpvlw
    

    Sequence, based on observed residues (ATOM records): (download)
    >2ij5C (C:)
    atvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrfsm
    ketaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtanslld
    nlitegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaakinw
    drdieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgsfl
    ttalisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvrkg
    elvlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigieal
    lkkmpgvdlavpidqlvwrtrfqrriperlpvlw
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >2ij5D (D:)
    mtatvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrf
    smketaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtansl
    ldnlitegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaaki
    nwdrdieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgs
    flttalisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvr
    kgelvlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigie
    allkkmpgvdlavpidqlvwrtrfqrriperlpvlw
    

    Sequence, based on observed residues (ATOM records): (download)
    >2ij5D (D:)
    llevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrfsmket
    aaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtanslldnli
    tegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaakinwdrd
    ieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgsfltta
    lisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvrkgelv
    lvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigieallkk
    mpgvdlavpidqlvwrtrfqrriperlpvlw
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >2ij5E (E:)
    mtatvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrf
    smketaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtansl
    ldnlitegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaaki
    nwdrdieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgs
    flttalisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvr
    kgelvlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigie
    allkkmpgvdlavpidqlvwrtrfqrriperlpvlw
    

    Sequence, based on observed residues (ATOM records): (download)
    >2ij5E (E:)
    tvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrfsmk
    etaaagaprlnaltvppevvnnmgniadaglrkavmkaileqflrdtanslldnlitega
    padlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaakinwdrdieym
    agilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgsflttalisl
    iqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvrkgelvlvll
    eganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigieallkkmpgv
    dlavpidqlvwrtrfqrriperlpvlw
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >2ij5F (F:)
    mtatvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrf
    smketaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtansl
    ldnlitegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaaki
    nwdrdieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgs
    flttalisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvr
    kgelvlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigie
    allkkmpgvdlavpidqlvwrtrfqrriperlpvlw
    

    Sequence, based on observed residues (ATOM records): (download)
    >2ij5F (F:)
    llevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrfsmket
    aaagaprlnaltvppevvnnmgniadaglrkavmkaitpkaleqflrdtanslldnlite
    gapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaakinwdrdie
    ymagilenpnittglmgelsrlrshvsdelfatigvtffgagvistgsflttalisliqr
    pqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvrkgelvlvllega
    nfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigieallkkmpgvdla
    vpidqlvwrtrfqrriperlpvlw