MolNFT v1 · #17286 · protein
Complex of drosophila odorant binding protein lush with butanol
1OOH: “Complex of drosophila odorant binding protein lush with butanol”. X-ray diffraction, 5 pockets (best druggability 0.81). MolNFT v1 #17286 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1OOH
- Type
- protein
- Length
- 252 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Odorant binding protein lush
- UniProt
- O02372
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 64% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Odorant binding protein lush | protein | 126 | 64% helix, 2% strand | O02372 |
Ligands and binding sites
- ACT · Acetate ion · additive · 4 copies · chains A, B
- 1BO · 1-butanol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 194 | 0.81 | 0.94 | 27 | ACT, 1BO |
| 2 | 197 | 0.80 | 0.94 | 32 | ACT, 1BO |
| 3 | 182 | 0.53 | 0.79 | 30 | empty |
| 4 | 76 | 0.40 | 0.78 | 13 | empty |
| 5 | 70 | 0.37 | 0.78 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 690 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1OOH · Complex of Drosophila odorant binding protein LUSH with butanol · the same entry in another collection · chain A against A, TM-score 1.00
- O02372 · AlphaFold monomer V2.0 prediction for general odorant-binding protein lush (O02372) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O02372
- Elsewhere: RCSB PDB 1OOH · PDBe 1OOH · UniProt O02372
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