PDB entry 4uym

View 4uym on RCSB PDB site
Description: Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with voriconazole
Class: oxidoreductase
Keywords: cytochrome p450, heme, oxidoreductase, monooxygenase, sterol biosynthesis, eukaryotic membranes, cytochrome p450 fold, endoplasmic reticulum membrane,
Deposited on 2014-09-02, released 2015-08-19
The last revision prior to the SCOPe 2.08 freeze date was dated 2015-10-07, with a file datestamp of 2015-10-02.
Experiment type: XRAY
Resolution: 2.55 Å
R-factor: N/A
AEROSPACI score: 0.19 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 14-alpha sterol demethylase
    Species: Aspergillus fumigatus [TaxId:746128]
    Gene: ERG 11
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q96W81 (0-468)
      • engineered mutation (0-1)
      • expression tag (469)
    Domains in SCOPe 2.08: d4uyma1, d4uyma2
  • Chain 'B':
    Compound: 14-alpha sterol demethylase
    Species: Aspergillus fumigatus [TaxId:746128]
    Gene: ERG 11
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q96W81 (0-468)
      • engineered mutation (0-1)
      • expression tag (469)
    Domains in SCOPe 2.08: d4uymb1, d4uymb2
  • Heterogens: HEM, VOR, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4uymA (A:)
ktppvvfhwfpfigstisygidpykfffdcrakygdiftfillgkkttvylgtkgndfil
ngklrdvcaeevysplttpvfgrhvvydcpnaklmeqkkfvkygltsdalrsyvplitde
vesfvknspafqghkgvfdvcktiaeitiytasrslqgkevrskfdstfaelyhnldmgf
apinfmlpwaplphnrkrdaaqrkltetymeiikarrqagskkdsedmvwnlmscvykng
tpvpdeeiahmmiallmagqhsssstaswivlrlatrpdimeelyqeqirvlgsdlpplt
ydnlqkldlhakviketlrlhapihsiiravknpmavdgtsyviptshnvlsspgvtars
eehfpnplewnphrwdeniaasaeddekvdygyglvskgtnspylpfgagrhrcigeqfa
ylqlgtitavlvrlfrfrnlpgvdgipdtdysslfskplgrsfvefekrh

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4uymB (B:)
ktppvvfhwfpfigstisygidpykfffdcrakygdiftfillgkkttvylgtkgndfil
ngklrdvcaeevysplttpvfgrhvvydcpnaklmeqkkfvkygltsdalrsyvplitde
vesfvknspafqghkgvfdvcktiaeitiytasrslqgkevrskfdstfaelyhnldmgf
apinfmlpwaplphnrkrdaaqrkltetymeiikarrqagskkdsedmvwnlmscvykng
tpvpdeeiahmmiallmagqhsssstaswivlrlatrpdimeelyqeqirvlgsdlpplt
ydnlqkldlhakviketlrlhapihsiiravknpmavdgtsyviptshnvlsspgvtars
eehfpnplewnphrwdeniaasaeddekvdygyglvskgtnspylpfgagrhrcigeqfa
ylqlgtitavlvrlfrfrnlpgvdgipdtdysslfskplgrsfvefekrh