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MolNFT v1 · #182880 · protein

Crystal structure of the N-formyltransferase HCAN_0200 from helicobacter canadensis in complex with folinic acid and dtdp-3- aminoquinovose

7N7C · FORMYL_TRANS_N domain-containing protein: “Crystal structure of the N-formyltransferase HCAN_0200 from helicobacter canadensis in complex with folinic…”. X-ray diffraction, 3 ligands (FON, T3Q, K), 5 pockets (best druggability…

PDB
7N7C
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, T3Q, K
Pockets
5 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BFORMYL_TRANS_N domain-containing proteinprotein27027% 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
  • 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, B
  • K · Potassium ion · metal · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14080.750.8443FON, T3Q, K
26510.720.7955EDO
34430.700.8144FON, T3Q, K
4620.380.8014empty
5570.310.7614empty

Interfaces

1 interface between chains.

  • A–B · 1256 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 7N7C · crystal structure of the N-formyltransferase HCAN_0200 from helicobacter canadensis in… · the same entry in another collection · chain A against A, TM-score 1.00

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