PDB entry 3p99

View 3p99 on RCSB PDB site
Description: Sterol 14alpha-demethylase (CYP51) from Trypanosoma brucei in complex with delta7-14alpha-methylene-cyclopropyl-dihydrolanosterol
Class: oxidoreductase
Keywords: Cytochrome P450 fold/sterol 14-alpha demethylase, CYP51, oxidoreductase, monooxygenase, hemoprotein, sterol biosynthesis, cytochrome P450 reductase (CPR), endoplasmic reticulum, membrane
Deposited on 2010-10-16, released 2011-11-30
The last revision prior to the SCOPe 2.05 freeze date was dated 2014-10-08, with a file datestamp of 2014-10-03.
Experiment type: XRAY
Resolution: 3 Å
R-factor: 0.226
AEROSPACI score: 0.16 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Sterol 14-alpha-demethylase
    Species: Trypanosoma brucei [TaxId:5691]
    Gene: CYP51, Tb11.02.4080
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q385E8 (0-End)
      • engineered mutation (0-2)
    Domains in SCOPe 2.05: d3p99a_
  • Chain 'B':
    Compound: Sterol 14-alpha-demethylase
    Species: Trypanosoma brucei [TaxId:5691]
    Gene: CYP51, Tb11.02.4080
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q385E8 (0-End)
      • engineered mutation (0-2)
    Domains in SCOPe 2.05: d3p99b_
  • Chain 'C':
    Compound: Sterol 14-alpha-demethylase
    Species: Trypanosoma brucei [TaxId:5691]
    Gene: CYP51, Tb11.02.4080
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q385E8 (0-End)
      • engineered mutation (0-2)
    Domains in SCOPe 2.05: d3p99c_
  • Chain 'D':
    Compound: Sterol 14-alpha-demethylase
    Species: Trypanosoma brucei [TaxId:5691]
    Gene: CYP51, Tb11.02.4080
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q385E8 (0-End)
      • engineered mutation (0-2)
    Domains in SCOPe 2.05: d3p99d_
  • Heterogens: HEM, LNP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3p99A (A:)
    gklppvypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtivgdphehsr
    fflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqh
    evrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaqllakmessl
    ipaavflpillklplpqsarcheartelqkilseiiiarkeeevnkdsstsdllsgllsa
    vyrdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealrkeieefpa
    qlnynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdiiacspllsh
    hdeeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvktilatafrsydfqll
    rdevpdpdyhtmvvgptasqcrvkyirrkaaaa
    

    Sequence, based on observed residues (ATOM records): (download)
    >3p99A (A:)
    gklppvypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtivgdphehsr
    fflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqh
    evrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaqllakmessl
    ipaavflpillklplpqsarcheartelqkilseiiiarkeeevnkdsstsdllsgllsa
    vyrdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealrkeieefpa
    qlnynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdiiacspllsh
    hdeeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvktilatafrsydfqll
    rdevpdpdyhtmvvgptasqcrvkyirr
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3p99B (B:)
    gklppvypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtivgdphehsr
    fflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqh
    evrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaqllakmessl
    ipaavflpillklplpqsarcheartelqkilseiiiarkeeevnkdsstsdllsgllsa
    vyrdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealrkeieefpa
    qlnynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdiiacspllsh
    hdeeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvktilatafrsydfqll
    rdevpdpdyhtmvvgptasqcrvkyirrkaaaa
    

    Sequence, based on observed residues (ATOM records): (download)
    >3p99B (B:)
    gklppvypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtivgdphehsr
    fflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqh
    evrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaqllakmessl
    ipaavflpillklplpqsarcheartelqkilseiiiarkeeevnkdsstsdllsgllsa
    vyrdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealrkeieefpa
    qlnynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdiiacspllsh
    hdeeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvktilatafrsydfqll
    rdevpdpdyhtmvvgptasqcrvkyirr
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3p99C (C:)
    gklppvypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtivgdphehsr
    fflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqh
    evrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaqllakmessl
    ipaavflpillklplpqsarcheartelqkilseiiiarkeeevnkdsstsdllsgllsa
    vyrdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealrkeieefpa
    qlnynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdiiacspllsh
    hdeeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvktilatafrsydfqll
    rdevpdpdyhtmvvgptasqcrvkyirrkaaaa
    

    Sequence, based on observed residues (ATOM records): (download)
    >3p99C (C:)
    gklppvypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtivgdphehsr
    fflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqh
    evrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaqllakmessl
    ipaavflpillklplpqsarcheartelqkilseiiiarkeeevstsdllsgllsavyrd
    gtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealrkeieefpaqlny
    nnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdiiacspllshhdee
    afpeprrwdperdekvegafigfgagvhkcigqkfgllqvktilatafrsydfqllrdev
    pdpdyhtmvvgptasqcrvkyirr
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3p99D (D:)
    gklppvypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtivgdphehsr
    fflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqh
    evrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaqllakmessl
    ipaavflpillklplpqsarcheartelqkilseiiiarkeeevnkdsstsdllsgllsa
    vyrdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealrkeieefpa
    qlnynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdiiacspllsh
    hdeeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvktilatafrsydfqll
    rdevpdpdyhtmvvgptasqcrvkyirrkaaaa
    

    Sequence, based on observed residues (ATOM records): (download)
    >3p99D (D:)
    gklppvypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtivgdphehsr
    fflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqh
    evrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaqllakmessl
    ipaavflpillklplpqsarcheartelqkilseiiiarkeeevnkdsstsdllsgllsa
    vyrdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealrkeieefpa
    qlnynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdiiacspllsh
    hdeeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvktilatafrsydfqll
    rdevpdpdyhtmvvgptasqcrvkyirr