PDB entry 4bjk

View 4bjk on RCSB PDB site
Description: CYP51 of Trypanosoma brucei bound to (S)-N-(3-(1H-indol-3-yl)-1-oxo-1- (pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4- carboxamide
Class: oxidoreductase
Keywords: oxidoreductase, ergosterol biosynthesis
Deposited on 2013-04-18, released 2013-09-04
The last revision prior to the SCOPe 2.08 freeze date was dated 2013-10-30, with a file datestamp of 2013-10-25.
Experiment type: XRAY
Resolution: 2.67 Å
R-factor: 0.19849
AEROSPACI score: 0.23 (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):
    • Uniprot Q385E8 (11-End)
      • expression tag (8-10)
      • engineered mutation (13)
      • engineered mutation (228-230)
    Domains in SCOPe 2.08: d4bjka1, d4bjka2
  • Chain 'B':
    Compound: lanosterol 14-alpha-demethylase
    Species: Trypanosoma brucei [TaxId:5691]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q385E8 (11-End)
      • expression tag (8-10)
      • engineered mutation (13)
      • engineered mutation (228-230)
    Domains in SCOPe 2.08: d4bjkb1, d4bjkb2
  • Chain 'C':
    Compound: lanosterol 14-alpha-demethylase
    Species: Trypanosoma brucei [TaxId:5691]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q385E8 (11-End)
      • expression tag (8-10)
      • engineered mutation (13)
      • engineered mutation (228-230)
    Domains in SCOPe 2.08: d4bjkc1, d4bjkc2
  • Chain 'D':
    Compound: lanosterol 14-alpha-demethylase
    Species: Trypanosoma brucei [TaxId:5691]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q385E8 (11-End)
      • expression tag (8-10)
      • engineered mutation (13)
      • engineered mutation (228-229)
    Domains in SCOPe 2.08: d4bjkd1, d4bjkd2
  • Heterogens: HEM, 18I, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4bjkA (A:)
makktsskgklppmypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtiv
gdphehsrfflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfq
nfvpaiqhevrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaql
lakmesslipaavflpillklplpqsarcheartelqkilseiiiarkaaavnkdsstsd
llsgllsavyrdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealr
keieefpaqlnynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdii
acspllshhdeeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvktilataf
rsydfqllrdevpdpdyhtmvvgptasqcrvkyirrkaaaahhhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4bjkA (A:)
gklppmypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtivgdphehsr
fflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqh
evrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaqllakmessl
ipaavflpillklplpqsarcheartelqkilseiiiarkaaavnkdsstsdllsgllsa
vyrdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealrkeieefpa
qlnynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdiiacspllsh
hdeeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvktilatafrsydfqll
rdevpdpdyhtmvvgptasqcrvkyirrka

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4bjkB (B:)
makktsskgklppmypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtiv
gdphehsrfflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfq
nfvpaiqhevrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaql
lakmesslipaavflpillklplpqsarcheartelqkilseiiiarkaaavnkdsstsd
llsgllsavyrdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealr
keieefpaqlnynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdii
acspllshhdeeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvktilataf
rsydfqllrdevpdpdyhtmvvgptasqcrvkyirrkaaaahhhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4bjkB (B:)
gklppmypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtivgdphehsr
fflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqh
evrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaqllakmessl
ipaavflpillklplpqsarcheartelqkilseiiiarkaaavnkdsstsdllsgllsa
vyrdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealrkeieefpa
qlnynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdiiacspllsh
hdeeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvktilatafrsydfqll
rdevpdpdyhtmvvgptasqcrvkyirrka

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4bjkC (C:)
makktsskgklppmypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtiv
gdphehsrfflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfq
nfvpaiqhevrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaql
lakmesslipaavflpillklplpqsarcheartelqkilseiiiarkaaavnkdsstsd
llsgllsavyrdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealr
keieefpaqlnynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdii
acspllshhdeeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvktilataf
rsydfqllrdevpdpdyhtmvvgptasqcrvkyirrkaaaahhhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4bjkC (C:)
gklppmypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtivgdphehsr
fflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqh
evrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaqllakmessl
ipaavflpillklplpqsarcheartelqkilseiiiarkaaavnkdsstsdllsgllsa
vyrdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealrkeieefpa
qlnynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdiiacspllsh
hdeeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvktilatafrsydfqll
rdevpdpdyhtmvvgptasqcrvkyirrka

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4bjkD (D:)
makktsskgklppmypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtiv
gdphehsrfflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfq
nfvpaiqhevrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaql
lakmesslipaavflpillklplpqsarcheartelqkilseiiiarkaaavnkdsstsd
llsgllsavyrdgtpmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealr
keieefpaqlnynnvmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdii
acspllshhdeeafpeprrwdperdekvegafigfgagvhkcigqkfgllqvktilataf
rsydfqllrdevpdpdyhtmvvgptasqcrvkyirrkaaaahhhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4bjkD (D:)
gklppmypvtvpilghiiqfgksplgfmqeckrqlksgiftinivgkrvtivgdphehsr
fflprnevlsprevysfmvpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqh
evrkfmaanwdkdegeinlledcstmiintacqclfgedlrkrldarrfaqllakmessl
ipaavflpillklplpqsarcheartelqkilseiiiarkaastsdllsgllsavyrdgt
pmslhevcgmivaamfagqhtssitttwsmlhlmhpanvkhlealrkeieefpaqlnynn
vmdempfaercaresirrdppllmlmrkvmadvkvgsyvvpkgdiiacspllshhdeeaf
peprrwdperdekvegafigfgagvhkcigqkfgllqvktilatafrsydfqllrdevpd
pdyhtmvvgptasqcrvkyirrka