PDB entry 2x2n

View 2x2n on RCSB PDB site
Description: X-ray structure of cyp51 from trypanosoma brucei in complex with posaconazole in two different conformations
Class: oxidoreductase
Keywords: oxidoreductase, p450, metal-binding, methyltransferase, ergosterol biosynthesis
Deposited on 2010-01-14, released 2010-02-02
The last revision prior to the SCOPe 2.08 freeze date was dated 2012-04-11, with a file datestamp of 2012-04-06.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.195
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: lanosterol 14-alpha-demethylase
    Species: Trypanosoma brucei [TaxId:5691]
    Database cross-references and differences (RAF-indexed):
    • PDB 2X2N
      • engineered mutation (234-236)
    • Uniprot Q385E8
    Domains in SCOPe 2.08: d2x2na_
  • Chain 'B':
    Compound: lanosterol 14-alpha-demethylase
    Species: Trypanosoma brucei [TaxId:5691]
    Database cross-references and differences (RAF-indexed):
    • PDB 2X2N
      • engineered mutation (234-236)
    • Uniprot Q385E8
    Domains in SCOPe 2.08: d2x2nb_
  • Chain 'C':
    Compound: lanosterol 14-alpha-demethylase
    Species: Trypanosoma brucei [TaxId:5691]
    Database cross-references and differences (RAF-indexed):
    • PDB 2X2N
      • engineered mutation (234-235)
    • Uniprot Q385E8
    Domains in SCOPe 2.08: d2x2nc_
  • Chain 'D':
    Compound: lanosterol 14-alpha-demethylase
    Species: Trypanosoma brucei [TaxId:5691]
    Database cross-references and differences (RAF-indexed):
    • PDB 2X2N
      • engineered mutation (234-236)
    • Uniprot Q385E8
    Domains in SCOPe 2.08: d2x2nd_
  • Heterogens: HEM, X2N, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >2x2nA (A:)
makkkkkksfnvtrptdppvypvtvpilghiiqfgksplgfmqeckrqlksgiftinivg
krvtivgdphehsrfflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeel
tiakfqnfvpaiqhevrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrlda
rrfaqllakmesslipaavflpillklplpqsarcheartelqkilseiiiarkaaavnk
dsstsdllsgllsavyrdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvk
hlealrkeieefpaqlnynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvv
pkgdiiacspllshhdeeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvkt
ilatafrsydfqllrdevpdpdyhtmvvgptasqcrvkyirrkaaaahhhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >2x2nA (A:)
tdppvypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtivgdphehsrf
flprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhe
vrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaqllakmessli
paavflpillklplpqsarcheartelqkilseiiiarkaaavnksstsdllsgllsavy
rdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealrkeieefpaql
nynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdiiacspllshhd
eeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvktilatafrsydfqllrd
evpdpdyhtmvvgptasqcrvkyirrka

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >2x2nB (B:)
makkkkkksfnvtrptdppvypvtvpilghiiqfgksplgfmqeckrqlksgiftinivg
krvtivgdphehsrfflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeel
tiakfqnfvpaiqhevrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrlda
rrfaqllakmesslipaavflpillklplpqsarcheartelqkilseiiiarkaaavnk
dsstsdllsgllsavyrdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvk
hlealrkeieefpaqlnynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvv
pkgdiiacspllshhdeeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvkt
ilatafrsydfqllrdevpdpdyhtmvvgptasqcrvkyirrkaaaahhhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >2x2nB (B:)
tdppvypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtivgdphehsrf
flprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhe
vrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaqllakmessli
paavflpillklplpqsarcheartelqkilseiiiarkaaavstsdllsgllsavyrdg
tpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealrkeieefpaqlnyn
nvmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdiiacspllshhdeea
fpeprrwdperdekvegafigfgagvhkcigqkfgllqvktilatafrsydfqllrdevp
dpdyhtmvvgptasqcrvkyirrk

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >2x2nC (C:)
makkkkkksfnvtrptdppvypvtvpilghiiqfgksplgfmqeckrqlksgiftinivg
krvtivgdphehsrfflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeel
tiakfqnfvpaiqhevrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrlda
rrfaqllakmesslipaavflpillklplpqsarcheartelqkilseiiiarkaaavnk
dsstsdllsgllsavyrdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvk
hlealrkeieefpaqlnynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvv
pkgdiiacspllshhdeeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvkt
ilatafrsydfqllrdevpdpdyhtmvvgptasqcrvkyirrkaaaahhhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >2x2nC (C:)
tdppvypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtivgdphehsrf
flprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhe
vrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaqllakmessli
paavflpillklplpqsarcheartelqkilseiiiarkaatsdllsgllsavyrdgtpm
slhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealrkeieefpaqlnynnvm
dempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdiiacspllshhdeeafpe
prrwdperdekvegafigfgagvhkcigqkfgllqvktilatafrsydfqllrdevpdpd
yhtmvvgptasqcrvkyirrk

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >2x2nD (D:)
makkkkkksfnvtrptdppvypvtvpilghiiqfgksplgfmqeckrqlksgiftinivg
krvtivgdphehsrfflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeel
tiakfqnfvpaiqhevrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrlda
rrfaqllakmesslipaavflpillklplpqsarcheartelqkilseiiiarkaaavnk
dsstsdllsgllsavyrdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvk
hlealrkeieefpaqlnynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvv
pkgdiiacspllshhdeeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvkt
ilatafrsydfqllrdevpdpdyhtmvvgptasqcrvkyirrkaaaahhhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >2x2nD (D:)
tdppvypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtivgdphehsrf
flprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhe
vrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaqllakmessli
paavflpillklplpqsarcheartelqkilseiiiarkaaavnksstsdllsgllsavy
rdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealrkeieefpaql
nynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdiiacspllshhd
eeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvktilatafrsydfqllrd
evpdpdyhtmvvgptasqcrvkyirrk