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MolNFT v1 · #146645 · protein

Udp-N-acetylglucosamine 4-epimerase from methanobrevibacter ruminantium M1 in complex with udp-N-acetylmuramic acid

6DNT · NAD-dependent EPIMERASE/DEHYDRATASE: “Udp-N-acetylglucosamine 4-epimerase from methanobrevibacter ruminantium M1 in complex with…”. X-ray diffraction, 3 ligands (NAD, EPZ, ZN), 2 pockets (best druggability 0.83). MolNFT v1 #146645…

PDB
6DNT
Type
protein
Length
310 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NAD-dependent EPIMERASE/DEHYDRATASE
UniProt
D3E402
Ligands
NAD, EPZ, ZN
Pockets
2 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANAD-dependent EPIMERASE/DEHYDRATASEprotein31039% helix, 18% strandD3E402

Ligands and binding sites

  • NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
  • EPZ · (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy) phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid · ligand · chains A
  • ZN · Zinc ion · metal · chains A
  • EDO · 1,2-ethanediol · additive · 4 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110820.830.8485NAD, EPZ, EDO
2540.430.8315empty

Compared structures

  • 6DNT · UDP-N-acetylglucosamine 4-epimerase from Methanobrevibacter ruminantium M1 in complex… · the same entry in another collection · chain A against A, TM-score 1.00

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