MolNFT v1 · #17236 · protein
Crystal structure of putative acetyltransferase (yycn) from bacillus subtilis, northeast structural genomics consortium target SR144
1ON0 · Yycn protein: “Crystal structure of putative acetyltransferase (yycn) from bacillus subtilis, northeast structural genomics…”. X-ray diffraction, 2 ligands (SO4, CL), 11 pockets (best druggability 0.85). MolNFT v1 #17236 on…
- PDB
- 1ON0
- Type
- protein
- Length
- 626 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Yycn protein
- UniProt
- O32293
- Ligands
- SO4, CL
- Pockets
- 11 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Yycn protein | protein | 156 | 43% helix, 21% strand | O32293 |
| B, D | Yycn protein | protein | 157 | 43% helix, 20% strand | O32293 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 948 | 0.85 | 0.87 | 85 | SO4 |
| 2 | 630 | 0.74 | 0.80 | 66 | CL |
| 3 | 339 | 0.73 | 0.85 | 46 | empty |
| 4 | 360 | 0.70 | 0.82 | 40 | SO4 |
| 5 | 212 | 0.69 | 0.86 | 31 | empty |
Interfaces
4 interfaces between chains.
- A–C · 889 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 688 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 661 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 476 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 1ON0 · Crystal Structure of Putative Acetyltransferase (YycN) from Bacillus subtilis, NORTHEAST… · the same entry in another collection · chain A against A, TM-score 1.00
- O32293 · AlphaFold monomer V2.0 prediction for uncharacterized N-acetyltransferase yycn (O32293) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 O32293
- Elsewhere: RCSB PDB 1ON0 · PDBe 1ON0 · UniProt O32293
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