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X-ray structure of the N-formyltransferase qdtf from providencia alcalifaciens, W305A mutant, in the presence of tdp-QUI3N and N5-thf

Analyse X-ray structure of the N-formyltransferase qdtf from providencia alcalifaciens… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4XD1
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
FON, T3Q, NA, K, CL
Pockets
4 · best druggability 0.72

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

  • 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
  • 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 · chains A
  • NA · Sodium ion · metal · 4 copies · chains A
  • K · Potassium ion · metal
  • CL · Chloride ion · ion · 3 copies · 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15900.720.8055FON, T3Q, NA, CL
24330.600.7641EDO
3510.400.8213empty
4680.380.7814empty

Compared structures

  • 4XD1 · X-ray structure of the N-formyltransferase QdtF from Providencia alcalifaciens, W305A… · the same entry in another collection · chain A against A, TM-score 1.00

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