PDB entry 5ibd

View 5ibd on RCSB PDB site
Description: Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 24a
Class: oxidoreductase
Keywords: Mycobacterium tuberculosis CYP121, Fragment based inhibitor screening, oxidoreductase
Deposited on 2016-02-22, released 2016-04-06
The last revision prior to the SCOPe 2.07 freeze date was dated 2016-04-27, with a file datestamp of 2016-04-22.
Experiment type: XRAY
Resolution: 1.77 Å
R-factor: N/A
AEROSPACI score: 0.39 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Mycocyclosin synthase
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: cyp121, MT2336
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5ibda_
  • Heterogens: SO4, HEM, GGJ, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5ibdA (A:)
    mtatvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrf
    smketaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtansl
    ldnlitegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaaki
    nwdrdieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgs
    flttalisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvr
    kgelvlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigie
    allkkmpgvdlavpidqlvwrtrfqrriperlpvlw
    

    Sequence, based on observed residues (ATOM records): (download)
    >5ibdA (A:)
    atvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrfsm
    ketaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtanslld
    nlitegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaakinw
    drdieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgsfl
    ttalisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvrkg
    elvlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigieal
    lkkmpgvdlavpidqlvwrtrfqrriperlpvlw