MolNFT v1 · #105843 · protein
2.9 ångström crystal structure of putative exotoxin 3 from staphylococcus aureus.
4RH6 · Exotoxin 3, putative: “2.9 ångström crystal structure of putative exotoxin 3 from staphylococcus aureus.”. X-ray diffraction, 1 ligand (CL), 6 pockets (best druggability 0.85). MolNFT v1 #105843 on GenesisL1: 3D structure, binding…
- PDB
- 4RH6
- Type
- protein
- Length
- 565 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Exotoxin 3, putative
- UniProt
- Q5HIP9
- Ligands
- CL
- Pockets
- 6 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Exotoxin 3, putative | protein | 187 | 17% helix, 45% strand | Q5HIP9 |
| B, C | Exotoxin 3, putative | protein | 189 | 16% helix, 45% strand | Q5HIP9 |
Ligands and binding sites
- CL · Chloride ion · ion · 3 copies · chains C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1116 | 0.85 | 0.86 | 92 | CL |
| 2 | 293 | 0.57 | 0.77 | 42 | empty |
| 3 | 92 | 0.38 | 0.76 | 20 | empty |
| 4 | 83 | 0.37 | 0.76 | 19 | empty |
| 5 | 58 | 0.32 | 0.76 | 12 | empty |
Interfaces
2 interfaces between chains.
- B–C · 1008 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 679 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4RH6 · 2.9 Angstrom Crystal Structure of Putative Exotoxin 3 from Staphylococcus 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 Q5HIP9
- Elsewhere: RCSB PDB 4RH6 · PDBe 4RH6 · UniProt Q5HIP9
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