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Crystal structure of the N-formyltrasferase HCAN_0200 from helicobacter canadensis on complex with folinic acid and dtdp-3- aminofucose

Analyse Crystal structure of the N-formyltrasferase HCAN_0200 from helicobacter… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7N7B
Type
protein
Length
540 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
FORMYL_TRANS_N domain-containing protein
UniProt
C5ZW02
Ligands
FON, T3F
Pockets
6 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 27% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFORMYL_TRANS_N domain-containing proteinprotein26927% helix, 28% strandC5ZW02
BFORMYL_TRANS_N domain-containing proteinprotein27127% helix, 27% strandC5ZW02

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 · 2 copies · chains A, B
  • 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 · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
  • MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13860.730.8443FON, T3F
26450.720.7951EDO
34560.700.8042FON, T3F
4520.380.8114empty
5560.370.8014empty

Interfaces

1 interface between chains.

  • A–B · 1277 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 7N7B · crystal structure of the N-formyltrasferase HCAN_0200 from Helicobacter canadensis on… · the same entry in another collection · chain A against A, TM-score 1.00

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