PDB entry 5ibi

View 5ibi on RCSB PDB site
Description: Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26a
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: 2.2 Å
R-factor: N/A
AEROSPACI score: 0.27 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cytochrome P450 121 CYP121
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: cyp121, cyp121_1, EI32_2700, ERS007657_00455, ERS007661_00083, ERS007663_02869, ERS007665_01035, ERS007670_00377, ERS007672_00334, ERS007679_00173, ERS007681_01277, ERS007703_02339, ERS007720_01219, ERS007722_01069, ERS013447_00077, ERS013471_02812, ERS023446_00317, ERS024276_01833, ERS027644_00398, ERS027652_00994, ERS027654_01464, ERS027656_01022, ERS027659_00311, ERS027666_00100, ERS031537_01827, ERS075357_02976, ERS075361_02508, ERS075387_01689, ERS124361_02646, HX90_2763
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5ibia_
  • Heterogens: SO4, 69U, HEM, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >5ibiA (A:)
    tvllevpfsargdripdavaelrtrepirkvrtitgaeawlvssyalctqvledrrfsmk
    etaaagaprlnaltvppevvnnmgniadaglrkavmkaitpkapgleqflrdtanslldn
    litegapadlrndfadplatalhckvlgipqedgpklfrslsiafmssadpipaakinwd
    rdieymagilenpnittglmgelsrlrkdpayshvsdelfatigvtffgagvistgsflt
    talisliqrpqlrnllhekpelipagveellrinlsfadglprlatadiqvgdvlvrkge
    lvlvlleganfdpehfpnpgsieldrpnptshlafgrgqhfcpgsalgrrhaqigieall
    kkmpgvdlavpidqlvwrtrfqrriperlpvlw