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MolNFT v1 · #165762 · protein

Electron cryomicroscopy structure of C. albicans fas in the apo state

6U5V · Fatty acid synthase subunit alpha: “Electron cryomicroscopy structure of C. albicans fas in the apo state”. Electron microscopy, 2 ligands (PNS, FMN), 20 pockets (best druggability 0.83). MolNFT v1 #165762 on GenesisL1: 3D…

PDB
6U5V
Type
protein
Length
3,629 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fatty acid synthase subunit alpha; Fatty acid synthase subunit beta
EC
2.3.1.86, 1.1.1.100, 2.3.1.41, 4.2.1.59, 1.3.1.9, 2.3.1.38, 2.3.1.39, 3.1.2.14
UniProt
P43098, P34731
Ligands
PNS, FMN
Pockets
20 · best druggability 0.83

Structure

electron microscopy · 2 distinct chains · 41% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFatty acid synthase subunit alpha (EC 2.3.1.86, 1.1.1.100, 2.3.1.41)protein159645% helix, 14% strandP43098
BFatty acid synthase subunit beta (EC 2.3.1.86, 4.2.1.59, 1.3.1.9, 2.3.1.38, 2.3.1.39, 3.1.2.14)protein203337% helix, 19% strandP34731

Ligands and binding sites

  • PNS · 4'-phosphopantetheine · ligand · chains A, B
  • FMN · Flavin mononucleotide · ligand · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18130.830.8587PNS, FMN
29710.780.8065empty
34590.750.8473empty
44140.730.8345empty
53920.720.8333empty

Interfaces

1 interface between chains.

  • A–B · 5954 Ų buried · 70 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 cofactor (flavinylation, phosphopantetheinylation).

Compared structures

  • 6U5V · Electron cryomicroscopy Structure of C. albicans FAS in the Apo state · the same entry in another collection · chain A against A, TM-score 1.00
  • P34731 · AlphaFold monomer V2.0 prediction for fatty acid synthase subunit beta (P34731) · a predicted model of the same protein · chain B against A, TM-score 0.98
  • P43098 · AlphaFold monomer V2.0 prediction for fatty acid synthase subunit alpha (P43098) · a predicted model of the same protein · chain A against A, TM-score 0.88

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