Research workbench
Crystal structure of bacterial toxin
Analyse Crystal structure of bacterial toxin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7BYY
- Type
- protein
- Length
- 708 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyltransferase
- UniProt
- A0A066QLB1
- Pockets
- 9 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 32% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyltransferase | protein | 180 | 35% helix, 28% strand | A0A066QLB1 |
| B | Acetyltransferase | protein | 179 | 30% helix, 28% strand | A0A066QLB1 |
| C | Acetyltransferase | protein | 176 | 34% helix, 29% strand | A0A066QLB1 |
| D | Acetyltransferase | protein | 173 | 31% helix, 29% strand | A0A066QLB1 |
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1029 | 0.73 | 0.76 | 92 | empty |
| 2 | 365 | 0.63 | 0.78 | 44 | empty |
| 3 | 364 | 0.59 | 0.76 | 41 | empty |
| 4 | 126 | 0.44 | 0.77 | 18 | empty |
| 5 | 116 | 0.38 | 0.74 | 20 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1074 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1035 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 61 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 54 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7BYY · Crystal structure of bacterial toxin · the same entry in another collection · chain A against A, 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 A0A066QLB1
- Elsewhere: RCSB PDB 7BYY · PDBe 7BYY · UniProt A0A066QLB1
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