MolNFT v1 · #109535 · protein
Human NAA50 complex with coenzyme a and an acetylated peptide
4X5K · N-alpha-acetyltransferase 50: “Human NAA50 complex with coenzyme a and an acetylated peptide”. X-ray diffraction, 2 ligands (ACE, COA), 1 pocket (best druggability 0.60). MolNFT v1 #109535 on GenesisL1: 3D structure, binding sites…
- PDB
- 4X5K
- Type
- protein
- Length
- 157 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-alpha-acetyltransferase 50; ACE-mmas
- EC
- 2.3.1.-
- UniProt
- Q9GZZ1
- Ligands
- ACE, COA
- Pockets
- 1 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-alpha-acetyltransferase 50 (EC 2.3.1.-) | protein | 153 | 31% helix, 35% strand | Q9GZZ1 |
| B | ACE-mmas | protein | 4 | 0% helix, 0% strand | — |
Ligands and binding sites
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 220 | 0.60 | 0.81 | 26 | ACE, COA |
Interfaces
1 interface between chains.
- A–B · 436 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 4X5K · Human NAA50 complex with coenzyme A and an acetylated peptide · the same entry in another collection · chain A against A, TM-score 1.00
- Q9GZZ1 · AlphaFold monomer V2.0 prediction for N-alpha-acetyltransferase 50 (Q9GZZ1) · a predicted model of the same protein · chain A against A, TM-score 0.98
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9GZZ1
- Elsewhere: RCSB PDB 4X5K · PDBe 4X5K · UniProt Q9GZZ1
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