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MolNFT v1 · #136097 · protein

X-ray structure of the fdtf formyltransferase from salmonella enteric O60 in complex with tdp-FUC3N and folinic acid

5UIK: “X-ray structure of the fdtf formyltransferase from salmonella enteric O60 in complex with tdp-FUC3N and…”. X-ray diffraction, 3 ligands (T3F, FON, NA), 9 pockets (best druggability 0.74). MolNFT v1 #136097 on GenesisL1: 3D…

PDB
5UIK
Type
protein
Length
796 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Formyltransferase
UniProt
U3GK13
Ligands
T3F, FON, NA
Pockets
9 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFormyltransferaseprotein39836% helix, 18% strandU3GK13
BFormyltransferaseprotein39835% helix, 17% strandU3GK13

Ligands and binding sites

  • T3F · (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate · ligand · 4 copies · chains A, B
  • FON · N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid · ligand · 2 copies · chains A, B
  • NA · Sodium ion · metal · 3 copies · chains A, B

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

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15730.740.8154FON, T3F
25040.730.8147FON, T3F
37880.720.7759empty
45030.640.7665empty
54360.600.7554T3F

Interfaces

1 interface between chains.

  • A–B · 1361 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 5UIK · X-ray structure of the FdtF formyltransferase from salmonella enteric O60 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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