MolNFT v1 · #66106 · protein
Crystal structure of the F74Y/H244Y OPR3 double mutant from tomato
3HGO · 12-oxophytodienoate reductase 3: “Crystal structure of the F74Y/H244Y OPR3 double mutant from tomato”. X-ray diffraction, 1 ligand (FMN), 4 pockets (best druggability 0.74). MolNFT v1 #66106 on GenesisL1: 3D structure, binding sites…
- PDB
- 3HGO
- Type
- protein
- Length
- 730 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 12-oxophytodienoate reductase 3
- EC
- 1.3.1.42
- UniProt
- Q9FEW9
- Ligands
- FMN
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 12-oxophytodienoate reductase 3 (EC 1.3.1.42) | protein | 367 | 40% helix, 16% strand | Q9FEW9 |
| B | 12-oxophytodienoate reductase 3 (EC 1.3.1.42) | protein | 363 | 39% helix, 15% strand | Q9FEW9 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 605 | 0.74 | 0.81 | 69 | FMN |
| 2 | 424 | 0.70 | 0.81 | 36 | FMN |
| 3 | 443 | 0.66 | 0.79 | 52 | empty |
| 4 | 64 | 0.40 | 0.80 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 554 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3HGO · Crystal structure of the F74Y/H244Y OPR3 double mutant from tomato · the same entry in another collection · chain A against A, TM-score 1.00
- Q9FEW9 · AlphaFold monomer V2.0 prediction for 12-oxophytodienoate reductase 3 (Q9FEW9) · a predicted model of the same protein · chain B 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 Q9FEW9
- Elsewhere: RCSB PDB 3HGO · PDBe 3HGO · UniProt Q9FEW9
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