PDB entry 2vku

View 2vku on RCSB PDB site
Description: 4,4'-dihydroxybenzophenone mimics sterol substrate in the binding site of sterol 14alpha-demethylase (cyp51) in the x-ray structure of the complex
Class: oxidoreductase
Keywords: steroid biosynthesis, cyp51-4, cytoplasm, alpha-beta, heme co-factor, lipid synthesis, sterol biosynthesis, 4'-dihydroxybenzophenone complex, nadp, iron, heme, monooxygenase, metal-binding, oxidoreductase
Deposited on 2007-12-29, released 2008-03-25
The last revision prior to the SCOPe 2.07 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: 0.177
AEROSPACI score: 0.48 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: cytochrome p450 51
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0A512
      • engineered mutation (36)
      • engineered mutation (441)
    • PDB 2VKU
    Domains in SCOPe 2.07: d2vkua_
  • Heterogens: DBE, HEM, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2vkuA (A:)
    msavalprvsgghdehghleefrtdpiglmqrvrdelgdvgtfqlagkqvvllsgshane
    fffragdddldqakaypfmtpifgegvvfdasperrkemlhnaalrgeqmkghaatiedq
    vrrmiadwgeageidlldffaeltiytssacligkkfrdqldgrfaklyhelergtdpla
    yvdpylpiesfrrrdearnglvalvadimngrianpptdksdrdmldvliavkaetgtpr
    fsadeitgmfismmfaghhtssgtaswtlielmrhrdayaavideldelygdgrsvsfha
    lrqipqlenvlketlrlhppliilmrvakgefevqghrihegdlvaaspaisnripedfp
    dphdfvparyeqprqedllnrwtwipfgagrhrcvgaafaimqikaifsvllreyefema
    qppesyrndhskmvvqlaqpaavryrrrtgvhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >2vkuA (A:)
    lprvsgghdehghleefrtdpiglmqrvrdelgdvgtfqlagkqvvllsgshanefffra
    gdddldqakaypfmtpifgegvvfdasperrkemlhnaalrgeqmkghaatiedqvrrmi
    adwgeageidlldffaeltiytssacligkkfrdqldgrfaklyhelergtdplayvdpy
    lpiesfrrrdearnglvalvadimngrianpptdksdrdmldvliavkaetgtprfsade
    itgmfismmfaghhtssgtaswtlielmrhrdayaavideldelygdgrsvsfhalrqip
    qlenvlketlrlhppliilmrvakgefevqghrihegdlvaaspaisnripedfpdphdf
    vparyeqprqedllnrwtwipfgagrhrcvgaafaimqikaifsvllreyefemaqppes
    yrndhskmvvqlaqpaavryrrrtg