MolNFT v1 · #47374 · protein
Crystal structure of oleoyl thioesterase (putative) (NP_784467.1) from lactobacillus plantarum at 2.00 a resolution
2OWN · Putative oleoyl-[acyl-carrier protein] thioesterase: “Crystal structure of oleoyl thioesterase (putative) (NP_784467.1) from lactobacillus plantarum at 2.00 a…”. X-ray diffraction, 2 ligands (UNL, SO4), 7 pockets (best druggability…
- PDB
- 2OWN
- Type
- protein
- Length
- 514 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative oleoyl-[acyl-carrier protein] thioesterase
- EC
- 3.1.2.14
- UniProt
- Q88YP1
- Ligands
- UNL, SO4
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 20% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative oleoyl-[acyl-carrier protein] thioesterase (EC 3.1.2.14) | protein | 256 | 20% helix, 42% strand | Q88YP1 |
| B | Putative oleoyl-[acyl-carrier protein] thioesterase (EC 3.1.2.14) | protein | 258 | 20% helix, 42% strand | Q88YP1 |
Ligands and binding sites
- UNL · Unknown ligand · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
- GOL · Glycerol · additive · 8 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 220 | 0.83 | 0.96 | 24 | empty |
| 2 | 422 | 0.79 | 0.87 | 49 | UNL, GOL |
| 3 | 486 | 0.77 | 0.85 | 61 | UNL |
| 4 | 69 | 0.64 | 0.92 | 19 | SO4 |
| 5 | 61 | 0.61 | 0.91 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2099 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 2OWN · Crystal structure of oleoyl thioesterase (putative) (NP_784467.1) from Lactobacillus… · 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 Q88YP1
- Elsewhere: RCSB PDB 2OWN · PDBe 2OWN · UniProt Q88YP1
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