MolNFT v1 · #18927 · protein
12-0XO-phytodienoate reductase isoform 3
1Q45 · 12-oxophytodienoate-10,11-reductase: “12-0XO-phytodienoate reductase isoform 3”. X-ray diffraction, 1 ligand (FMN), 9 pockets (best druggability 0.71). MolNFT v1 #18927 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1Q45
- Type
- protein
- Length
- 732 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 12-oxophytodienoate-10,11-reductase
- EC
- 1.3.1.42
- UniProt
- Q9FUP0
- Ligands
- FMN
- Pockets
- 9 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 12-oxophytodienoate-10,11-reductase (EC 1.3.1.42) | protein | 365 | 38% helix, 16% strand | Q9FUP0 |
| B | 12-oxophytodienoate-10,11-reductase (EC 1.3.1.42) | protein | 367 | 38% helix, 16% strand | Q9FUP0 |
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
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 452 | 0.71 | 0.81 | 42 | FMN |
| 2 | 734 | 0.70 | 0.76 | 57 | empty |
| 3 | 393 | 0.68 | 0.80 | 39 | FMN |
| 4 | 70 | 0.44 | 0.82 | 15 | empty |
| 5 | 55 | 0.37 | 0.80 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 298 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
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 Q9FUP0
- Elsewhere: RCSB PDB 1Q45 · PDBe 1Q45 · UniProt Q9FUP0
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