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MolNFT v1 · #109785 · protein

X-ray structure of the N-formyltransferase qdtf from providencia alcalifaciens in complex with tdp-QUI3N and N5-thf

4XCZ · Tdp-3-aminoquinovose-N-formyltransferase: “X-ray structure of the N-formyltransferase qdtf from providencia alcalifaciens in complex with tdp-QUI3N and…”. X-ray diffraction, 5 ligands (T3Q, FON, NA), 5 pockets (best druggability…

PDB
4XCZ
Type
protein
Length
397 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tdp-3-aminoquinovose-N-formyltransferase
EC
2.1.2.9
UniProt
F8RC03
Ligands
T3Q, FON, NA, K, CL
Pockets
5 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATdp-3-aminoquinovose-N-formyltransferase (EC 2.1.2.9)protein39736% helix, 18% strandF8RC03

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 · 2 copies · chains A
  • 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
  • NA · Sodium ion · metal · 5 copies · chains A
  • K · Potassium ion · metal
  • CL · Chloride ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · 5 copies · chains A

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

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15070.740.8242FON, T3Q
24460.610.7642EDO
3890.350.7517NA
4560.350.7813empty
5540.330.7812empty

Compared structures

  • 4XCZ · X-ray structure of the N-formyltransferase QdtF from Providencia alcalifaciens in complex… · the same entry in another collection · chain A against A, TM-score 1.00

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