MolNFT v1 · #16226 · protein
Crystal structure of probable acetyltransferase
1NSL: “Crystal structure of probable acetyltransferase”. X-ray diffraction, 1 ligand (CL), 17 pockets (best druggability 0.77). MolNFT v1 #16226 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1NSL
- Type
- protein
- Length
- 1,068 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable acetyltransferase
- UniProt
- P96579
- Ligands
- CL
- Pockets
- 17 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 33% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Probable acetyltransferase | protein | 176 | 34% helix, 37% strand | P96579 |
| C, D | Probable acetyltransferase | protein | 180 | 33% helix, 36% strand | P96579 |
| E | Probable acetyltransferase | protein | 179 | 32% helix, 35% strand | P96579 |
| F | Probable acetyltransferase | protein | 177 | 34% helix, 38% strand | P96579 |
Ligands and binding sites
- CL · Chloride ion · ion · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 966 | 0.77 | 0.79 | 103 | empty |
| 2 | 941 | 0.75 | 0.78 | 89 | empty |
| 3 | 892 | 0.75 | 0.79 | 101 | empty |
| 4 | 52 | 0.60 | 0.92 | 18 | empty |
| 5 | 101 | 0.56 | 0.84 | 20 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1151 Ų buried · 10 hydrogen bonds · protein-protein
- E–F · 1106 Ų buried · 11 hydrogen bonds · protein-protein
- C–F · 1078 Ų buried · 32 hydrogen bonds · protein-protein
- A–B · 1070 Ų buried · 9 hydrogen bonds · protein-protein
- B–E · 1050 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- 1NSL · Crystal structure of Probable acetyltransferase · the same entry in another collection · chain F against F, TM-score 1.00
- P96579 · AlphaFold monomer V2.0 prediction for putative ribosomal N-acetyltransferase ydaf (P96579) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P96579
- Elsewhere: RCSB PDB 1NSL · PDBe 1NSL · UniProt P96579
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