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
Deposited on 2006-09-29, released 2006-11-07
The last revision prior to the SCOP 1.73 freeze date was dated 2007-05-08, with a file datestamp of 2007-06-04.
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
    Gene: cyp121
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.73: d2ij7a1
  • Chain 'B':
    Compound: Cytochrome P450 121
    Species: Mycobacterium tuberculosis
    Gene: cyp121
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.73: d2ij7b1
  • Chain 'C':
    Compound: Cytochrome P450 121
    Species: Mycobacterium tuberculosis
    Gene: cyp121
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.73: d2ij7c1
  • Chain 'D':
    Compound: Cytochrome P450 121
    Species: Mycobacterium tuberculosis
    Gene: cyp121
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.73: d2ij7d1
  • Chain 'E':
    Compound: Cytochrome P450 121
    Species: Mycobacterium tuberculosis
    Gene: cyp121
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.73: d2ij7e1
  • Chain 'F':
    Compound: Cytochrome P450 121
    Species: Mycobacterium tuberculosis
    Gene: cyp121
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.73: d2ij7f1
  • 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