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MolNFT v1 · #61937 · protein

Crystal structure of C-termianl domain of N-acetylglutamate synthase from vibrio parahaemolyticus

3E0K · Amino-acid acetyltransferase: “Crystal structure of C-termianl domain of N-acetylglutamate synthase from vibrio parahaemolyticus”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.57). MolNFT v1 #61937 on GenesisL1…

PDB
3E0K
Type
protein
Length
146 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Amino-acid acetyltransferase
EC
2.3.1.1
UniProt
Q87M87
Ligands
SO4
Pockets
2 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAmino-acid acetyltransferase (EC 2.3.1.1)protein14643% helix, 23% strandQ87M87

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · 2 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12460.570.7831SO4
22080.570.7927empty

Modifications

Observed in the structure: 2 modified (engineered).

Compared structures

  • 3E0K · Crystal structure of C-termianl domain of N-acetylglutamate synthase from Vibrio… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q87M87 · AlphaFold monomer V2.0 prediction for amino-acid acetyltransferase (Q87M87) · a predicted model of the same protein · chain A against A, TM-score 0.90

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