MolNFT v1 · #50638 · protein
The external thioesterase of the surfactin-synthetase
2RON · Surfactin synthetase thioesterase subunit: “The external thioesterase of the surfactin-synthetase”. Solution nmr, 5 pockets (best druggability 0.70). MolNFT v1 #50638 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2RON
- Type
- protein
- Length
- 242 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Surfactin synthetase thioesterase subunit
- EC
- 3.1.2.-
- UniProt
- Q08788
- Pockets
- 5 · best druggability 0.70
Structure
solution nmr · 1 distinct chain · 35% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Surfactin synthetase thioesterase subunit (EC 3.1.2.-) | protein | 242 | 35% helix, 15% strand | Q08788 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 368 | 0.70 | 0.83 | 39 | empty |
| 2 | 110 | 0.56 | 0.84 | 22 | empty |
| 3 | 71 | 0.37 | 0.78 | 22 | empty |
| 4 | 62 | 0.36 | 0.78 | 20 | empty |
| 5 | 50 | 0.29 | 0.76 | 13 | empty |
Compared structures
- 2RON · The external thioesterase of the Surfactin-Synthetase · the same entry in another collection · chain A against A, TM-score 1.00
- Q08788 · AlphaFold monomer V2.0 prediction for surfactin synthase thioesterase subunit (Q08788) · a predicted model of the same protein · chain A against A, TM-score 0.40
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 Q08788
- Elsewhere: RCSB PDB 2RON · PDBe 2RON · UniProt Q08788
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