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MolNFT v1 · #107422 · protein

Crystal structure of natd (NAA40P) bound to acetyl CoA

4U9V · N-alpha-acetyltransferase 40: “Crystal structure of natd (NAA40P) bound to acetyl CoA”. X-ray diffraction, 1 ligand (ACO), 1 pocket (best druggability 0.67). MolNFT v1 #107422 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
4U9V
Type
protein
Length
197 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
N-alpha-acetyltransferase 40
EC
2.3.1.-
UniProt
Q86UY6
Ligands
ACO
Pockets
1 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BN-alpha-acetyltransferase 40 (EC 2.3.1.-)protein19739% helix, 29% strandQ86UY6

Ligands and binding sites

  • ACO · Acetyl coenzyme *A · ligand · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13990.670.7937ACO

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 4U9V · Crystal structure of NatD (Naa40p) bound to acetyl CoA · the same entry in another collection · chain B against B, TM-score 1.00
  • Q86UY6 · AlphaFold monomer V2.0 prediction for N-alpha-acetyltransferase 40 (Q86UY6) · a predicted model of the same protein · chain B against A, TM-score 0.97

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