MolNFT v1 · #29013 · protein
Crystal structure of the bacillis subtilis acetyltransferase in complex with CoA, northeast structural genomics target SR237.
1YVK · Hypothetical protein BSU33890: “Crystal structure of the bacillis subtilis acetyltransferase in complex with CoA, northeast structural…”. X-ray diffraction, 1 ligand (COA), 3 pockets (best druggability 0.85). MolNFT v1 #29013 on…
- PDB
- 1YVK
- Type
- protein
- Length
- 608 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein BSU33890
- UniProt
- O32248
- Ligands
- COA
- Pockets
- 3 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Hypothetical protein BSU33890 | protein | 152 | 34% helix, 37% strand | O32248 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1078 | 0.85 | 0.86 | 108 | COA |
| 2 | 1183 | 0.83 | 0.84 | 113 | COA |
| 3 | 54 | 0.33 | 0.78 | 15 | empty |
Interfaces
6 interfaces between chains.
- B–C · 991 Ų buried · 19 hydrogen bonds · protein-protein
- A–D · 981 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 874 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 864 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 97 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 1YVK · Crystal Structure of the Bacillis subtilis Acetyltransferase in complex with CoA… · the same entry in another collection · chain A against A, TM-score 1.00
- O32248 · AlphaFold monomer V2.0 prediction for uncharacterized N-acetyltransferase yvbk (O32248) · 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 O32248
- Elsewhere: RCSB PDB 1YVK · PDBe 1YVK · UniProt O32248
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