PDB entry 2cib

View 2cib on RCSB PDB site
Description: high throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for cyp51 inhibitors
Class: oxidoreductase
Keywords: heme, heme lipid synthesis, metal-binding, monooxygenase, nadp, oxidoreductase, protein-inhibitor complex, steroid biosynthesis, sterol biosynthesis
Deposited on 2006-03-17, released 2007-07-03
The last revision prior to the SCOPe 2.07 freeze date was dated 2009-04-21, with a file datestamp of 2009-04-17.
Experiment type: XRAY
Resolution: 1.5 Å
R-factor: 0.204
AEROSPACI score: 0.61 (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 2CIB
    Domains in SCOPe 2.07: d2ciba_
  • Heterogens: HEM, CM6, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >2cibA (A:)
    alprvsgghdehghleefrtdpiglmqrvrdelgdvgtfqlagkqvvllsgshanefffr
    agdddldqakaypfmtpifglrgeqmkghaatiedqvrrmiadwgeageidlldffaelt
    iytssacligkkfrdqldgrfaklyhelergtdplayvdpylpiesfrrrdearnglval
    vadimngrianpdrdmldvliavkaetgtprfsadeitgmfismmfaghhtssgtaswtl
    ielmrhrdayaavideldelygdgrsvsfhalrqipqlenvlketlrlhppliilmrvak
    gefevqghrihegdlvaaspaisnripedfpdphdfvparyeqprqedllnrwtwipfga
    grhrcvgaafaimqikaifsvllreyefemaqppesyrndhskmvvqlaqpaavryrrrt