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MolNFT v1 · #136099 · protein

X-ray structure of the fdtf N-formyltransferase from salmonella enteric O60 in complex with folinic acid and tdp-QUI3N

5UIM: “X-ray structure of the fdtf N-formyltransferase from salmonella enteric O60 in complex with folinic acid and…”. X-ray diffraction, 5 ligands (T3Q, FON, TYD), 8 pockets (best druggability 0.75). MolNFT v1 #136099 on GenesisL1: 3D…

PDB
5UIM
Type
protein
Length
795 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Formyltransferase
UniProt
U3GK13
Ligands
T3Q, FON, TYD, NA, K
Pockets
8 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFormyltransferaseprotein39837% helix, 17% strandU3GK13
BFormyltransferaseprotein39736% helix, 18% strandU3GK13

Ligands and binding sites

  • T3Q · [(3R,4S,5S,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 · 3 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 · chains A, B
  • TYD · Thymidine-5'-diphosphate · ligand · chains B
  • NA · Sodium ion · metal · 4 copies · chains A, B
  • K · Potassium ion · metal · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16290.750.8264T3Q
25630.740.8163FON, TYD
37850.730.7856empty
44910.660.7751empty
53180.560.7636empty

Interfaces

1 interface between chains.

  • A–B · 1387 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

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

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