[English] 日本語
Yorodumi Papers
- Database of articles cited by EMDB/PDB/SASBDB data -

+
Search query

Keywords
Structure methods
Author
Journal
IF

-
Structure paper

TitleAllosteric regulation of fungal fatty acid synthesis.
Journal, issue, pagesStructure, Vol. 33, Issue 12, Page 2041-22048.e4, Year 2025
Publish dateDec 4, 2025
AuthorsS M Naimul Hasan / Elnaz Khalili Samani / Alexander F A Keszei / Mahtab Heydari / Mohammad T Mazhab-Jafari /
PubMed AbstractMycobiota fatty acid synthases (FASs) catalyze iterative cycles of condensation, dehydration, and reduction to produce saturated fatty acids. Although these multienzymes are attractive antifungal ...Mycobiota fatty acid synthases (FASs) catalyze iterative cycles of condensation, dehydration, and reduction to produce saturated fatty acids. Although these multienzymes are attractive antifungal drug targets, no clinically approved small-molecule inhibitors exist, and the regulation of de novo fatty acid synthesis remains poorly understood. Here, we identify an allosteric regulation of the FAS ketoacyl reduction reaction by palmitoyl-CoA. The palmitate moiety binds a distal site on the central wheel of fungal FAS from Saccharomyces cerevisiae and Candida albicans. This site also accommodates shorter acyl chains, but only palmitoyl-CoA suppresses ketoacyl reductase (KR) activity. While no major conformational changes occur in the reductase domain, palmitoyl-CoA binding quenches dynamics in the central disk, improving local resolution and stabilizing structured water molecules. This entropic effect underlies allosteric communication to the reductase site. Our findings uncover a regulatory mechanism of fungal FAS exploitable for antifungal drug design.
External linksStructure / PubMed:41043416
MethodsEM (single particle)
Resolution2.08 - 2.66 Å
Structure data

46552

9d47

EMDB-46552, PDB-9d47:
Atomic model of Candida albicans Fatty Acid Synthase (FAS) in complex with Palmitoyl-CoA (in vitro binding)
Method: EM (single particle) / Resolution: 2.62 Å

46553

9d48

EMDB-46553, PDB-9d48:
Atomic model of Ketoacyl Reductase domain and 4 helical bundle of Candida albicans Fatty Acid Synthase (FAS) in complex with Palmitoyl-CoA (in vivo binding)
Method: EM (single particle) / Resolution: 2.66 Å

46554

9d49

EMDB-46554, PDB-9d49:
Atomic model of triple mutant S. cerevisiae Fatty Acid Synthase (FAS) in complex with Palmitoyl-CoA (in vitro binding)
Method: EM (single particle) / Resolution: 2.65 Å

46555

9d4a

EMDB-46555, PDB-9d4a:
Atomic model of Ketoacyl Reductase domain and 4 helical bundle of S. cerevisiae Fatty Acid Synthase (FAS) in complex with octanoyl-CoA (in vitro binding)
Method: EM (single particle) / Resolution: 2.61 Å

71284

9p4v

EMDB-71284, PDB-9p4v:
Atomic model of wild type S. cerevisiae Fatty Acid Synthase (FAS) in complex with Palmitoyl-CoA (in vitro binding)
Method: EM (single particle) / Resolution: 2.08 Å

71285

9p4w

EMDB-71285, PDB-9p4w:
Atomic model of wild type S. cerevisiae Fatty Acid Synthase (FAS)
Method: EM (single particle) / Resolution: 2.29 Å

Chemicals

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-PKZ:
Palmitoyl-CoA

ChemComp-HOH:
WATER

ChemComp-SXO:
S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

Source
  • candida albicans (yeast)
  • saccharomyces cerevisiae (brewer's yeast)
KeywordsBIOSYNTHETIC PROTEIN / Palmitoyl-CoA / FAS / allosteric inhibition / octanoyl-CoA

+
About Yorodumi Papers

-
News

-
Feb 9, 2022. New format data for meta-information of EMDB entries

New format data for meta-information of EMDB entries

  • Version 3 of the EMDB header file is now the official format.
  • The previous official version 1.9 will be removed from the archive.

Related info.:EMDB header

External links:wwPDB to switch to version 3 of the EMDB data model

-
Aug 12, 2020. Covid-19 info

Covid-19 info

URL: https://pdbj.org/emnavi/covid19.php

New page: Covid-19 featured information page in EM Navigator.

Related info.:Covid-19 info / Mar 5, 2020. Novel coronavirus structure data

+
Mar 5, 2020. Novel coronavirus structure data

Novel coronavirus structure data

Related info.:Yorodumi Speices / Aug 12, 2020. Covid-19 info

External links:COVID-19 featured content - PDBj / Molecule of the Month (242)：Coronavirus Proteases

+
Jan 31, 2019. EMDB accession codes are about to change! (news from PDBe EMDB page)

EMDB accession codes are about to change! (news from PDBe EMDB page)

  • The allocation of 4 digits for EMDB accession codes will soon come to an end. Whilst these codes will remain in use, new EMDB accession codes will include an additional digit and will expand incrementally as the available range of codes is exhausted. The current 4-digit format prefixed with “EMD-” (i.e. EMD-XXXX) will advance to a 5-digit format (i.e. EMD-XXXXX), and so on. It is currently estimated that the 4-digit codes will be depleted around Spring 2019, at which point the 5-digit format will come into force.
  • The EM Navigator/Yorodumi systems omit the EMD- prefix.

Related info.:Q: What is EMD? / ID/Accession-code notation in Yorodumi/EM Navigator

External links:EMDB Accession Codes are Changing Soon! / Contact to PDBj

+
Jul 12, 2017. Major update of PDB

Major update of PDB

  • wwPDB released updated PDB data conforming to the new PDBx/mmCIF dictionary.
  • This is a major update changing the version number from 4 to 5, and with Remediation, in which all the entries are updated.
  • In this update, many items about electron microscopy experimental information are reorganized (e.g. em_software).
  • Now, EM Navigator and Yorodumi are based on the updated data.

External links:wwPDB Remediation / Enriched Model Files Conforming to OneDep Data Standards Now Available in the PDB FTP Archive

-
Yorodumi Papers

Database of articles cited by EMDB/PDB/SASBDB data

  • Database of articles cited by EMDB, PDB, and SASBDB entries
  • Using PubMed data

Related info.:EMDB / PDB / SASBDB / Yorodumi / EMN Papers / Changes in new EM Navigator and Yorodumi

Read more