PDB entry 3l4d

View 3l4d on RCSB PDB site
Description: Crystal structure of sterol 14-alpha demethylase (CYP51) from Leishmania infantum in complex with fluconazole
Class: oxidoreductase
Keywords: sterol 14-alpha demethylase, CYP51, P450, heme, oxidoreductase, monooxygenase, endoplasmic reticulum, transmembrane protein, sterol biosynthesis, obtusifoliol, lipids, membrane, Iron
Deposited on 2009-12-19, released 2009-12-29
The last revision prior to the SCOPe 2.03 freeze date was dated 2011-08-10, with a file datestamp of 2011-08-05.
Experiment type: XRAY
Resolution: 2.75 Å
R-factor: 0.221
AEROSPACI score: 0.26 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Sterol 14-alpha demethylase
    Species: Leishmania infantum [TaxId:5671]
    Gene: CYP51, LinJ11.1100
    Database cross-references and differences (RAF-indexed):
    • Uniprot A2TEF2 (4-End)
      • expression tag (1-3)
    Domains in SCOPe 2.03: d3l4da_
  • Chain 'B':
    Compound: Sterol 14-alpha demethylase
    Species: Leishmania infantum [TaxId:5671]
    Gene: CYP51, LinJ11.1100
    Database cross-references and differences (RAF-indexed):
    • Uniprot A2TEF2 (4-End)
      • expression tag (0-3)
    Domains in SCOPe 2.03: d3l4db_
  • Chain 'C':
    Compound: Sterol 14-alpha demethylase
    Species: Leishmania infantum [TaxId:5671]
    Gene: CYP51, LinJ11.1100
    Database cross-references and differences (RAF-indexed):
    • Uniprot A2TEF2 (4-End)
      • expression tag (1-3)
    Domains in SCOPe 2.03: d3l4dc_
  • Chain 'D':
    Compound: Sterol 14-alpha demethylase
    Species: Leishmania infantum [TaxId:5671]
    Gene: CYP51, LinJ11.1100
    Database cross-references and differences (RAF-indexed):
    • Uniprot A2TEF2 (4-End)
      • expression tag (0-3)
    Domains in SCOPe 2.03: d3l4dd_
  • Heterogens: HEM, TPF, N8E, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3l4dA (A:)
    kgklppvvhgttpfvghiiqfgkdplgfmlkakkkyggiftmnicgnritvvgdvhqhsk
    fftprneilsprevysfmvpvfgegvayaapyprmreqlnflaeeltvakfqnfapsiqh
    evrkfmkanwnkdegeinilddcsamiintacqclfgedlrkrldarqfaqllakmescl
    ipaavflpwilklplpqsyrcrdaraelqdilseiiiarekeeaqkdtntsdllagllga
    vyrdgtrmsqhevcgmivaamfagqhtstitttwsllhlmdprnkrhlaklhqeidefpa
    qlnydnvmeempfaeqcaresirrdpplvmlmrkvlkpvqvgkyvvpegdiiacspllsh
    qdeeafpnprewnpernmklvdgafcgfgagvhkcigekfgllqvktvlatvlrdydfel
    lgplpepnyhtmvvgptasqcrvkyikkkkaaa
    

    Sequence, based on observed residues (ATOM records): (download)
    >3l4dA (A:)
    gklppvvhgttpfvghiiqfgkdplgfmlkakkkyggiftmnicgnritvvgdvhqhskf
    ftprneilsprevysfmvpvfgegvayaapyprmreqlnflaeeltvakfqnfapsiqhe
    vrkfmkanwnkdegeinilddcsamiintacqclfgedlrkrldarqfaqllakmescli
    paavflpwilklplpqsyrcrdaraelqdilseiiiarekeeaqkdtntsdllagllgav
    yrdgtrmsqhevcgmivaamfagqhtstitttwsllhlmdprnkrhlaklhqeidefpaq
    lnydnvmeempfaeqcaresirrdpplvmlmrkvlkpvqvgkyvvpegdiiacspllshq
    deeafpnprewnpernmklvdgafcgfgagvhkcigekfgllqvktvlatvlrdydfell
    gplpepnyhtmvvgptasqcrvkyikkk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3l4dB (B:)
    kgklppvvhgttpfvghiiqfgkdplgfmlkakkkyggiftmnicgnritvvgdvhqhsk
    fftprneilsprevysfmvpvfgegvayaapyprmreqlnflaeeltvakfqnfapsiqh
    evrkfmkanwnkdegeinilddcsamiintacqclfgedlrkrldarqfaqllakmescl
    ipaavflpwilklplpqsyrcrdaraelqdilseiiiarekeeaqkdtntsdllagllga
    vyrdgtrmsqhevcgmivaamfagqhtstitttwsllhlmdprnkrhlaklhqeidefpa
    qlnydnvmeempfaeqcaresirrdpplvmlmrkvlkpvqvgkyvvpegdiiacspllsh
    qdeeafpnprewnpernmklvdgafcgfgagvhkcigekfgllqvktvlatvlrdydfel
    lgplpepnyhtmvvgptasqcrvkyikkkkaaa
    

    Sequence, based on observed residues (ATOM records): (download)
    >3l4dB (B:)
    kgklppvvhgttpfvghiiqfgkdplgfmlkakkkyggiftmnicgnritvvgdvhqhsk
    fftprneilsprevysfmvpvfgegvayaapyprmreqlnflaeeltvakfqnfapsiqh
    evrkfmkanwnkdegeinilddcsamiintacqclfgedlrkrldarqfaqllakmescl
    ipaavflpwilklplpqsyrcrdaraelqdilseiiiarekeeaqkdtntsdllagllga
    vyrdgtrmsqhevcgmivaamfagqhtstitttwsllhlmdprnkrhlaklhqeidefpa
    qlnydnvmeempfaeqcaresirrdpplvmlmrkvlkpvqvgkyvvpegdiiacspllsh
    qdeeafpnprewnpernmklvdgafcgfgagvhkcigekfgllqvktvlatvlrdydfel
    lgplpepnyhtmvvgptasqcrvkyikkk
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3l4dC (C:)
    kgklppvvhgttpfvghiiqfgkdplgfmlkakkkyggiftmnicgnritvvgdvhqhsk
    fftprneilsprevysfmvpvfgegvayaapyprmreqlnflaeeltvakfqnfapsiqh
    evrkfmkanwnkdegeinilddcsamiintacqclfgedlrkrldarqfaqllakmescl
    ipaavflpwilklplpqsyrcrdaraelqdilseiiiarekeeaqkdtntsdllagllga
    vyrdgtrmsqhevcgmivaamfagqhtstitttwsllhlmdprnkrhlaklhqeidefpa
    qlnydnvmeempfaeqcaresirrdpplvmlmrkvlkpvqvgkyvvpegdiiacspllsh
    qdeeafpnprewnpernmklvdgafcgfgagvhkcigekfgllqvktvlatvlrdydfel
    lgplpepnyhtmvvgptasqcrvkyikkkkaaa
    

    Sequence, based on observed residues (ATOM records): (download)
    >3l4dC (C:)
    gklppvvhgttpfvghiiqfgkdplgfmlkakkkyggiftmnicgnritvvgdvhqhskf
    ftprneilsprevysfmvpvfgegvayaapyprmreqlnflaeeltvakfqnfapsiqhe
    vrkfmkanwnkdegeinilddcsamiintacqclfgedlrkrldarqfaqllakmescli
    paavflpwilklplpqsyrcrdaraelqdilseiiiarekeeaqkdttsdllagllgavy
    rdgtrmsqhevcgmivaamfagqhtstitttwsllhlmdprnkrhlaklhqeidefpaql
    nydnvmeempfaeqcaresirrdpplvmlmrkvlkpvqvgkyvvpegdiiacspllshqd
    eeafpnprewnpernmklvdgafcgfgagvhkcigekfgllqvktvlatvlrdydfellg
    plpepnyhtmvvgptasqcrvkyikkk
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3l4dD (D:)
    kgklppvvhgttpfvghiiqfgkdplgfmlkakkkyggiftmnicgnritvvgdvhqhsk
    fftprneilsprevysfmvpvfgegvayaapyprmreqlnflaeeltvakfqnfapsiqh
    evrkfmkanwnkdegeinilddcsamiintacqclfgedlrkrldarqfaqllakmescl
    ipaavflpwilklplpqsyrcrdaraelqdilseiiiarekeeaqkdtntsdllagllga
    vyrdgtrmsqhevcgmivaamfagqhtstitttwsllhlmdprnkrhlaklhqeidefpa
    qlnydnvmeempfaeqcaresirrdpplvmlmrkvlkpvqvgkyvvpegdiiacspllsh
    qdeeafpnprewnpernmklvdgafcgfgagvhkcigekfgllqvktvlatvlrdydfel
    lgplpepnyhtmvvgptasqcrvkyikkkkaaa
    

    Sequence, based on observed residues (ATOM records): (download)
    >3l4dD (D:)
    kgklppvvhgttpfvghiiqfgkdplgfmlkakkkyggiftmnicgnritvvgdvhqhsk
    fftprneilsprevysfmvpvfgegvayaapyprmreqlnflaeeltvakfqnfapsiqh
    evrkfmkanwnkdegeinilddcsamiintacqclfgedlrkrldarqfaqllakmescl
    ipaavflpwilklplpqsyrcrdaraelqdilseiiiarekeeantsdllagllgavyrd
    gtrmsqhevcgmivaamfagqhtstitttwsllhlmdprnkrhlaklhqeidefpaqlny
    dnvmeempfaeqcaresirrdpplvmlmrkvlkpvqvgkyvvpegdiiacspllshqdee
    afpnprewnpernmklvdgafcgfgagvhkcigekfgllqvktvlatvlrdydfellgpl
    pepnyhtmvvgptasqcrvkyikkk