PDB entry 5frb

View 5frb on RCSB PDB site
Description: Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with a tetrazole-based inhibitor VT-1598
Class: oxidoreductase
Keywords: sterol 14-alpha demethylase (cyp51), cytochrome p450, heme, oxidoreductase, monooxygenase, sterol biosynthesis, eukaryotic membranes, cytochrome p450 fold, endoplasmic reticulum membrane, oxidoreductase-oxidoreductase inhibitor complex
Deposited on 2015-12-16, released 2017-04-26
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-07-05, with a file datestamp of 2017-06-30.
Experiment type: XRAY
Resolution: 2.99 Å
R-factor: N/A
AEROSPACI score: 0.14 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: sterol 14-alpha demethylase, cyp51b
    Species: Aspergillus fumigatus [TaxId:746128]
    Gene: ERG 11
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0A0J5PJX1 (Start-471)
      • engineered mutation (3-4)
      • expression tag (472)
    Domains in SCOPe 2.07: d5frba1, d5frba2
  • Heterogens: HEM, VT2

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5frbA (A:)
makktppvvfhwfpfigstisygidpykfffdcrakygdiftfillgkkttvylgtkgnd
filngklrdvcaeevysplttpvfgrhvvydcpnaklmeqkkfvkygltsdalrsyvpli
tdevesfvknspafqghkgvfdvcktiaeitiytasrslqgkevrskfdstfaelyhnld
mgfapinfmlpwaplphnrkrdaaqrkltetymeiikarrqagskkdsedmvwnlmscvy
kngtpvpdeeiahmmiallmagqhsssstaswivlrlatrpdimeelyqeqirvlgsdlp
pltydnlqkldlhakviketlrlhapihsiiravknpmavdgtsyviptshnvlsspgvt
arseehfpnplewnphrwdeniaasaeddekvdygyglvskgtnspylpfgagrhrcige
qfaylqlgtitavlvrlfrfrnlpgvdgipdtdysslfskplgrsfvefekrh

    Sequence, based on observed residues (ATOM records): (download) 
    >5frbA (A:)
ktppvvfhwfpfigstisygidpykfffdcrakygdiftfillgkkttvylgtkgndfil
ngklrdvcaeevysplttpvfgrhvvydcpnaklmeqkkfvkygltsdalrsyvplitde
vesfvknspafqghkgvfdvcktiaeitiytasrslqgkevrskfdstfaelyhnldmgf
apinfmlpwaplphnrkrdaaqrkltetymeiikarrqagskkdsedmvwnlmscvykng
tpvpdeeiahmmiallmagqhsssstaswivlrlatrpdimeelyqeqirvlgsdlpplt
ydnlqkldlhakviketlrlhapihsiiravknpmavdgtsyviptshnvlsspgvtars
eehfpnplewnphrwdeniaasaeddekvdygyglvskgtnspylpfgagrhrcigeqfa
ylqlgtitavlvrlfrfrnlpgvdgipdtdysslfskplgrsfvefekrh