Research workbench
Crystal structure of putative acetyltransferase (yycn) from bacillus subtilis, northeast structural genomics consortium target SR144
Analyse Crystal structure of putative acetyltransferase (yycn) from bacillus subtilis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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