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The crystal structure of a possible acetyltransferase from clostridium difficile 630
Analyse The crystal structure of a possible acetyltransferase from clostridium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3DSB
- Type
- protein
- Length
- 304 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative acetyltransferase
- UniProt
- Q185U9
- Ligands
- BET, SO4
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative acetyltransferase | protein | 152 | 39% helix, 35% strand | Q185U9 |
Ligands and binding sites
- BET · Trimethyl glycine · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
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 | 417 | 0.71 | 0.82 | 40 | BET, SO4 |
| 2 | 358 | 0.71 | 0.83 | 41 | SO4, BET |
| 3 | 113 | 0.45 | 0.78 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 3239 Ų buried · 68 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3DSB · The crystal structure of a possible acetyltransferase from Clostridium difficile 630 · the same entry in another collection · chain B against B, TM-score 1.00
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 Q185U9
- Elsewhere: RCSB PDB 3DSB · PDBe 3DSB · UniProt Q185U9
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