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Crystal structure of an exotoxin 6 (SAV0422) from staphylococcus aureus subsp. aureus MU50 at 2.25 a resolution
Analyse Crystal structure of an exotoxin 6 (SAV0422) from staphylococcus aureus subsp.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ZYS
- Type
- protein
- Length
- 386 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Exotoxin 6
- UniProt
- K0L291
- Ligands
- CL
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 18% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Exotoxin 6 | protein | 195 | 17% helix, 43% strand | K0L291 |
| B | Exotoxin 6 | protein | 191 | 19% helix, 43% strand | K0L291 |
Ligands and binding sites
- CL · Chloride ion · ion · 5 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 194 | 0.64 | 0.84 | 22 | empty |
| 2 | 55 | 0.31 | 0.76 | 12 | empty |
| 3 | 51 | 0.28 | 0.75 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 602 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 4ZYS · Crystal structure of an exotoxin 6 (SAV0422) from Staphylococcus aureus subsp. aureus… · 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 K0L291
- Elsewhere: RCSB PDB 4ZYS · PDBe 4ZYS · UniProt K0L291
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