MolNFT v1 · #94151 · protein
Apo N-terminal acetyltransferase complex a
4HNY · N-terminal acetyltransferase a complex subunit NAT1: “Apo N-terminal acetyltransferase complex a”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #94151 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4HNY
- Type
- protein
- Length
- 1,924 residues
- Chains
- 4
- 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
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 67% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-terminal acetyltransferase a complex subunit NAT1 | protein | 733 | 76% helix, 1% strand | P12945 |
| B | N-terminal acetyltransferase a complex catalytic subunit ARD1 (EC 2.3.1.88) | protein | 216 | 35% helix, 23% strand | P07347 |
| C | N-terminal acetyltransferase a complex subunit NAT1 | protein | 759 | 75% helix, 0% strand | P12945 |
| D | N-terminal acetyltransferase a complex catalytic subunit ARD1 (EC 2.3.1.88) | protein | 216 | 36% helix, 23% strand | P07347 |
Ligands and binding sites
- PG4 · Tetraethylene glycol · additive · 7 copies · chains A, C, B
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 847 | 0.81 | 0.84 | 96 | PG4 |
| 2 | 1063 | 0.81 | 0.82 | 108 | empty |
| 3 | 339 | 0.65 | 0.81 | 43 | PG4 |
| 4 | 471 | 0.64 | 0.77 | 58 | empty |
| 5 | 312 | 0.60 | 0.78 | 39 | GOL |
Interfaces
3 interfaces between chains.
- A–B · 4337 Ų buried · 65 hydrogen bonds · protein-protein
- C–D · 3833 Ų buried · 55 hydrogen bonds · protein-protein
- A–C · 368 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4HNY · Apo N-terminal acetyltransferase complex A · the same entry in another collection · chain D against D, 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 0.91
- P07347 · AlphaFold monomer V2.0 prediction for N-terminal acetyltransferase a complex catalytic… · a predicted model of the same protein · chain D against A, TM-score 0.75
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 P12945
- Every structure of UniProt P07347
- Elsewhere: RCSB PDB 4HNY · PDBe 4HNY · UniProt P12945 · UniProt P07347
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