PDB entry 4bmm

View 4bmm on RCSB PDB site
Description: Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2',3, 5'-trifluoro-(1,1'-biphenyl)-4-carboxamide
Class: oxidoreductase
Keywords: oxidoreductase, sterol biosynthesis, chagas disease
Deposited on 2013-05-09, released 2014-06-11
The last revision prior to the SCOPe 2.08 freeze date was dated 2014-09-10, with a file datestamp of 2014-09-05.
Experiment type: XRAY
Resolution: 2.84 Å
R-factor: 0.19427
AEROSPACI score: 0.2 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Sterol 14-alpha demethylase
    Species: Trypanosoma cruzi [TaxId:353153]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q7Z1V1 (11-End)
      • expression tag (9-10)
    Domains in SCOPe 2.08: d4bmma1, d4bmma2
  • Chain 'B':
    Compound: Sterol 14-alpha demethylase
    Species: Trypanosoma cruzi [TaxId:353153]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q7Z1V1 (11-End)
      • expression tag (9-10)
    Domains in SCOPe 2.08: d4bmmb1, d4bmmb2
  • Chain 'C':
    Compound: Sterol 14-alpha demethylase
    Species: Trypanosoma cruzi [TaxId:353153]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q7Z1V1 (11-End)
      • expression tag (9-10)
    Domains in SCOPe 2.08: d4bmmc1, d4bmmc2
  • Chain 'D':
    Compound: Sterol 14-alpha demethylase
    Species: Trypanosoma cruzi [TaxId:353153]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q7Z1V1 (11-End)
      • expression tag (9-10)
    Domains in SCOPe 2.08: d4bmmd1, d4bmmd2
  • Heterogens: HEM, TU1, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4bmmA (A:)
makktsskgklppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtiv
gdphehsrffsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfq
nfvpaiqhevrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaql
lskmesslipaavfmpwllrlplpqsarcrearaelqkilgeiivarekeeaskdnntsd
llggllkavyrdgtrmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklh
keidefpaqlnydnvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdii
acspllshhdeeafpnprlwdperdekvdgafigfgagvhkcigqkfallqvktilataf
reydfqllrdevpdpdyhtmvvgptlnqclvkytrkkklpshhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4bmmA (A:)
klppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsrf
fsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhe
vrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmessli
paavfmpwllrlplpqsarcrearaelqkilgeiivarekeesdllggllkavyrdgtrm
slhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaqlnydnvm
dempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshhdeeafpn
prlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllrdevpdpd
yhtmvvgptlnqclvkytrkk

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4bmmB (B:)
makktsskgklppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtiv
gdphehsrffsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfq
nfvpaiqhevrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaql
lskmesslipaavfmpwllrlplpqsarcrearaelqkilgeiivarekeeaskdnntsd
llggllkavyrdgtrmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklh
keidefpaqlnydnvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdii
acspllshhdeeafpnprlwdperdekvdgafigfgagvhkcigqkfallqvktilataf
reydfqllrdevpdpdyhtmvvgptlnqclvkytrkkklpshhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4bmmB (B:)
klppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsrf
fsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhe
vrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmessli
paavfmpwllrlplpqsarcrearaelqkilgeiivarekeetsdllggllkavyrdgtr
mslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaqlnydnv
mdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshhdeeafp
nprlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllrdevpdp
dyhtmvvgptlnqclvkytrkk

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4bmmC (C:)
makktsskgklppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtiv
gdphehsrffsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfq
nfvpaiqhevrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaql
lskmesslipaavfmpwllrlplpqsarcrearaelqkilgeiivarekeeaskdnntsd
llggllkavyrdgtrmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklh
keidefpaqlnydnvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdii
acspllshhdeeafpnprlwdperdekvdgafigfgagvhkcigqkfallqvktilataf
reydfqllrdevpdpdyhtmvvgptlnqclvkytrkkklpshhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4bmmC (C:)
klppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsrf
fsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhe
vrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmessli
paavfmpwllrlplpqsarcrearaelqkilgeiivarekeedllggllkavyrdgtrms
lhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaqlnydnvmd
empfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshhdeeafpnp
rlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllrdevpdpdy
htmvvgptlnqclvkytrkk

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4bmmD (D:)
makktsskgklppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtiv
gdphehsrffsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfq
nfvpaiqhevrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaql
lskmesslipaavfmpwllrlplpqsarcrearaelqkilgeiivarekeeaskdnntsd
llggllkavyrdgtrmslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklh
keidefpaqlnydnvmdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdii
acspllshhdeeafpnprlwdperdekvdgafigfgagvhkcigqkfallqvktilataf
reydfqllrdevpdpdyhtmvvgptlnqclvkytrkkklpshhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4bmmD (D:)
klppvypvtvpflghivqfgknplefmqrckrdlksgvftisiggqrvtivgdphehsrf
fsprneilsprevytimtpvfgegvayaapyprmreqlnflaeeltiakfqnfvpaiqhe
vrkfmaenwkedegvinlledcgamiintacqclfgedlrkrlnarhfaqllskmessli
paavfmpwllrlplpqsarcrearaelqkilgeiivarekeeasdllggllkavyrdgtr
mslhevcgmivaamfagqhtstittswsmlhlmhpknkkwldklhkeidefpaqlnydnv
mdempfaercvresirrdppllmvmrmvkaevkvgsyvvpkgdiiacspllshhdeeafp
nprlwdperdekvdgafigfgagvhkcigqkfallqvktilatafreydfqllrdevpdp
dyhtmvvgptlnqclvkytrkk