PDB entry 2w0a

View 2w0a on RCSB PDB site
Description: CYP51 of M. tuberculosis bound to an inhibitor N-[(1S)-2-METHYL-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
Class: oxidoreductase
Keywords: steroid biosynthesis, protein-inhibitor complex, metal-binding, oxidoreductase, lipid synthesis, nadp, iron, heme, cytoplasm, monooxygenase, sterol biosynthesis
Deposited on 2008-08-12, released 2009-01-20
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-05-08, with a file datestamp of 2019-05-03.
Experiment type: XRAY
Resolution: 1.6 Å
R-factor: N/A
AEROSPACI score: 0.44 (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)
      • conflict (85)
      • engineered mutation (441)
    • PDB 2W0A
    Domains in SCOPe 2.08: d2w0aa_
  • Heterogens: HEM, CII, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >2w0aA (A:)
msavalprvsgghdehghleefrtdpiglmqrvrdelgdvgtfqlagkqvvllsgshane
fffragdddldqakaypfmtpifgeavvfdasperrkemlhnaalrgeqmkghaatiedq
vrrmiadwgeageidlldffaeltiytssacligkkfrdqldgrfaklyhelergtdpla
yvdpylpiesfrrrdearnglvalvadimngrianpptdksdrdmldvliavkaetgtpr
fsadeitgmfismmfaghhtssgtaswtlielmrhrdayaavideldelygdgrsvsfha
lrqipqlenvlketlrlhppliilmrvakgefevqghrihegdlvaaspaisnripedfp
dphdfvparyeqprqedllnrwtwipfgagrhrcvgaafaimqikaifsvllreyefema
qppesyrndhskmvvqlaqpaavryrrrtgvhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >2w0aA (A:)
avalprvsgghdehghleefrtdpiglmqrvrdelgdvgtfqlagkqvvllsgshaneff
fragdddldqakaypfmtpifgeavvfrgeqmkghaatiedqvrrmiadwgeageidlld
ffaeltiytssacligkkfrdqldgrfaklyhelergtdplayvdpylpiesfrrrdear
nglvalvadimngrianpdrdmldvliavkagtprfsadeitgmfismmfaghhtssgta
swtlielmrhrdayaavideldelygdgrsvsfhalrqipqlenvlketlrlhppliilm
rvakgefevqghrihegdlvaaspaisnripedfpdphdfvparyeqprqedllnrwtwi
pfgagrhrcvgaafaimqikaifsvllreyefemaqppesyrndhskmvvqlaqpaavry
rrrtg