PDB entry 6fmo

View 6fmo on RCSB PDB site
Description: Crystal structure of the substrate (obtusifoliol)-bound and ligand-free I105F mutant of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi
Class: protein binding
Keywords: sterol biosynthesis, CYP51, OXIDOREDUCTASE, MONOOXYGENASE, SUBSTRATE BINDING, PROTEIN BINDING
Deposited on 2018-02-01, released 2018-10-24
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-10-24, with a file datestamp of 2018-10-19.
Experiment type: XRAY
Resolution: 3.18 Å
R-factor: N/A
AEROSPACI score: 0.11 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: sterol 14alpha-demethylase
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: CYP51A
    Database cross-references and differences (RAF-indexed):
    • Uniprot M1FYE4
      • conflict (30)
      • engineered mutation (104)
      • conflict (354)
    Domains in SCOPe 2.07: d6fmoa_
  • Chain 'B':
    Compound: sterol 14alpha-demethylase
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: CYP51A
    Database cross-references and differences (RAF-indexed):
    • Uniprot M1FYE4
      • conflict (30)
      • engineered mutation (104)
      • conflict (354)
    Domains in SCOPe 2.07: d6fmob_
  • Chain 'C':
    Compound: sterol 14alpha-demethylase
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: CYP51A
    Database cross-references and differences (RAF-indexed):
    • Uniprot M1FYE4
      • conflict (30)
      • engineered mutation (104)
      • conflict (354)
    Domains in SCOPe 2.07: d6fmoc_
  • Chain 'D':
    Compound: sterol 14alpha-demethylase
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: CYP51A
    Database cross-references and differences (RAF-indexed):
    • Uniprot M1FYE4
      • conflict (30)
      • engineered mutation (104)
      • conflict (354)
    Domains in SCOPe 2.07: d6fmod_
  • Heterogens: HEM, DVE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6fmoA (A:)
    mfieaivlgltalilysvysvksfnttrptlppvypvtvpflghivqfgknplefmqrck
    rdlksgvftisiggqrvtivgdphehsrffsprneilsprevytfmtpvfgegvayaapy
    prmreqlnflaeeltiakfqnfvpaiqhevrkfmaenwkedegvinlledcgamiintac
    qclfgedlrkrlnarhfaqllskmesslipaavfmpwllrlplpqsarcrearaelqkil
    geiivarekeeaskdnntsdllggllkavyrdgtrmslhevcgmivaamfagqhtstitt
    swsmlhlmhpknkkwldklhkeidefpaqlnydnvmdempfaercvresirrdppllmvm
    rmvkaevkvgsyvvpkgdiiacspllshhdeeafpnprlwdperdekvdgafigfgagvh
    kcigqkfallqvktilatafreydfqllrdevpdpdyhtmvvgptlnqclvkytrkkklp
    shhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6fmoA (A:)
    lppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsrff
    sprneilsprevytfmtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhev
    rkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmesslip
    aavfmpwllrlplpqsarcrearaelqkilgeiivarekeeaskdnntsdllggllkavy
    rdgtrmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaql
    nydnvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshhd
    eeafpnprlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllrd
    evpdpdyhtmvvgptlnqclvkytrkkk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6fmoB (B:)
    mfieaivlgltalilysvysvksfnttrptlppvypvtvpflghivqfgknplefmqrck
    rdlksgvftisiggqrvtivgdphehsrffsprneilsprevytfmtpvfgegvayaapy
    prmreqlnflaeeltiakfqnfvpaiqhevrkfmaenwkedegvinlledcgamiintac
    qclfgedlrkrlnarhfaqllskmesslipaavfmpwllrlplpqsarcrearaelqkil
    geiivarekeeaskdnntsdllggllkavyrdgtrmslhevcgmivaamfagqhtstitt
    swsmlhlmhpknkkwldklhkeidefpaqlnydnvmdempfaercvresirrdppllmvm
    rmvkaevkvgsyvvpkgdiiacspllshhdeeafpnprlwdperdekvdgafigfgagvh
    kcigqkfallqvktilatafreydfqllrdevpdpdyhtmvvgptlnqclvkytrkkklp
    shhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6fmoB (B:)
    lppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsrff
    sprneilsprevytfmtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhev
    rkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmesslip
    aavfmpwllrlplpqsarcrearaelqkilgeiivarekeeaskdnntsdllggllkavy
    rdgtrmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaql
    nydnvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshhd
    eeafpnprlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllrd
    evpdpdyhtmvvgptlnqclvkytrkkk
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6fmoC (C:)
    mfieaivlgltalilysvysvksfnttrptlppvypvtvpflghivqfgknplefmqrck
    rdlksgvftisiggqrvtivgdphehsrffsprneilsprevytfmtpvfgegvayaapy
    prmreqlnflaeeltiakfqnfvpaiqhevrkfmaenwkedegvinlledcgamiintac
    qclfgedlrkrlnarhfaqllskmesslipaavfmpwllrlplpqsarcrearaelqkil
    geiivarekeeaskdnntsdllggllkavyrdgtrmslhevcgmivaamfagqhtstitt
    swsmlhlmhpknkkwldklhkeidefpaqlnydnvmdempfaercvresirrdppllmvm
    rmvkaevkvgsyvvpkgdiiacspllshhdeeafpnprlwdperdekvdgafigfgagvh
    kcigqkfallqvktilatafreydfqllrdevpdpdyhtmvvgptlnqclvkytrkkklp
    shhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6fmoC (C:)
    lppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsrff
    sprneilsprevytfmtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhev
    rkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmesslip
    aavfmpwllrlplpqsarcrearaelqkilgeiivarekeeaskdnntsdllggllkavy
    rdgtrmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaql
    nydnvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshhd
    eeafpnprlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllrd
    evpdpdyhtmvvgptlnqclvkytrkkk
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6fmoD (D:)
    mfieaivlgltalilysvysvksfnttrptlppvypvtvpflghivqfgknplefmqrck
    rdlksgvftisiggqrvtivgdphehsrffsprneilsprevytfmtpvfgegvayaapy
    prmreqlnflaeeltiakfqnfvpaiqhevrkfmaenwkedegvinlledcgamiintac
    qclfgedlrkrlnarhfaqllskmesslipaavfmpwllrlplpqsarcrearaelqkil
    geiivarekeeaskdnntsdllggllkavyrdgtrmslhevcgmivaamfagqhtstitt
    swsmlhlmhpknkkwldklhkeidefpaqlnydnvmdempfaercvresirrdppllmvm
    rmvkaevkvgsyvvpkgdiiacspllshhdeeafpnprlwdperdekvdgafigfgagvh
    kcigqkfallqvktilatafreydfqllrdevpdpdyhtmvvgptlnqclvkytrkkklp
    shhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6fmoD (D:)
    lppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsrff
    sprneilsprevytfmtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhev
    rkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmesslip
    aavfmpwllrlplpqsarcrearaelqkilgeiivarekeeaskdnntsdllggllkavy
    rdgtrmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaql
    nydnvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshhd
    eeafpnprlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllrd
    evpdpdyhtmvvgptlnqclvkytrkkk