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The nata acetyltransferase complex bound to ppgpp

Analyse The nata acetyltransferase complex bound to ppgpp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4HNX
Type
protein
Length
926 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
N-terminal acetyltransferase a complex subunit NAT1; N-terminal acetyltransferase a…
EC
2.3.1.88
UniProt
P12945, P07347
Ligands
G4P
Pockets
12 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 67% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AN-terminal acetyltransferase a complex subunit NAT1protein71377% helix, 0% strandP12945
BN-terminal acetyltransferase a complex catalytic subunit ARD1 (EC 2.3.1.88)protein21336% helix, 25% strandP07347

Ligands and binding sites

  • G4P · Guanosine-5',3'-tetraphosphate · ligand · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14920.770.8551G4P
25580.690.7957empty
31440.630.8528empty
44060.620.7756empty
52100.520.7727empty

Interfaces

1 interface between chains.

  • A–B · 3693 Ų buried · 52 hydrogen bonds · protein-protein

Compared structures

  • 4HNX · The NatA Acetyltransferase Complex Bound To ppGpp · the same entry in another collection · chain A against A, TM-score 1.00
  • P12945 · AlphaFold monomer V2.0 prediction for N-terminal acetyltransferase a complex subunit NAT1… · a predicted model of the same protein · chain A against A, TM-score 0.96
  • P07347 · AlphaFold monomer V2.0 prediction for N-terminal acetyltransferase a complex catalytic… · a predicted model of the same protein · chain B against A, TM-score 0.79

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