MolNFT v1 · #117717 · protein
EST816 as an N-acyl homoserine lactone degrading enzyme
5EGN · Esterase: “EST816 as an N-acyl homoserine lactone degrading enzyme”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #117717 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5EGN
- Type
- protein
- Length
- 2,074 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Esterase
- EC
- 3.1.1.1
- UniProt
- I6YRG4
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 44% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, F | Esterase (EC 3.1.1.1) | protein | 260 | 43% helix, 18% strand | I6YRG4 |
| C, D, E, G | Esterase (EC 3.1.1.1) | protein | 259 | 46% helix, 18% strand | I6YRG4 |
| H | Esterase (EC 3.1.1.1) | protein | 258 | 44% helix, 18% strand | I6YRG4 |
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1091 | 0.82 | 0.83 | 96 | empty |
| 2 | 89 | 0.77 | 0.97 | 25 | empty |
| 3 | 80 | 0.76 | 0.99 | 26 | empty |
| 4 | 85 | 0.76 | 0.98 | 25 | empty |
| 5 | 82 | 0.76 | 0.98 | 26 | empty |
Interfaces
11 interfaces between chains.
- A–F · 1395 Ų buried · 14 hydrogen bonds · protein-protein
- B–D · 1391 Ų buried · 13 hydrogen bonds · protein-protein
- G–H · 1378 Ų buried · 12 hydrogen bonds · protein-protein
- C–E · 1343 Ų buried · 12 hydrogen bonds · protein-protein
- B–F · 361 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5EGN · Est816 as an N-Acyl homoserine lactone degrading enzyme · 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 I6YRG4
- Elsewhere: RCSB PDB 5EGN · PDBe 5EGN · UniProt I6YRG4
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