MolNFT v1 · #83817 · protein
Oxidized E.COLI lon proteolytic domain
3WU6 · Lon protease: “Oxidized E.COLI lon proteolytic domain”. X-ray diffraction, 1 ligand (SO4), 18 pockets (best druggability 0.54). MolNFT v1 #83817 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3WU6
- Type
- protein
- Length
- 1,108 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lon protease
- EC
- 3.4.21.53
- UniProt
- C9QQ79
- Ligands
- SO4
- Pockets
- 18 · best druggability 0.54
Structure
x-ray diffraction · 5 distinct chains · 36% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lon protease (EC 3.4.21.53) | protein | 185 | 35% helix, 31% strand | C9QQ79 |
| B | Lon protease (EC 3.4.21.53) | protein | 181 | 36% helix, 30% strand | C9QQ79 |
| C, D | Lon protease (EC 3.4.21.53) | protein | 182 | 35% helix, 30% strand | C9QQ79 |
| E | Lon protease (EC 3.4.21.53) | protein | 198 | 38% helix, 28% strand | C9QQ79 |
| F | Lon protease (EC 3.4.21.53) | protein | 180 | 37% helix, 29% strand | C9QQ79 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 137 | 0.54 | 0.82 | 26 | empty |
| 2 | 134 | 0.54 | 0.82 | 24 | empty |
| 3 | 128 | 0.52 | 0.81 | 24 | empty |
| 4 | 110 | 0.51 | 0.82 | 19 | empty |
| 5 | 202 | 0.51 | 0.77 | 33 | empty |
Interfaces
6 interfaces between chains.
- A–B · 877 Ų buried · 14 hydrogen bonds · protein-protein
- A–F · 856 Ų buried · 13 hydrogen bonds · protein-protein
- E–F · 842 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 775 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 731 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 3WU6 · Oxidized E.coli Lon Proteolytic domain · 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 C9QQ79
- Elsewhere: RCSB PDB 3WU6 · PDBe 3WU6 · UniProt C9QQ79
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