MolNFT v1 · #20839 · protein
Soybean lipoxygenase (lox-3) at 93K at 2.0 a resolution
1RRL · Seed lipoxygenase-3: “Soybean lipoxygenase (lox-3) at 93K at 2.0 a resolution”. X-ray diffraction, 1 ligand (FE2), 20 pockets (best druggability 0.81). MolNFT v1 #20839 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1RRL
- Type
- protein
- Length
- 1,700 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Seed lipoxygenase-3
- EC
- 1.13.11.12
- UniProt
- P09186
- Ligands
- FE2
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Seed lipoxygenase-3 (EC 1.13.11.12) | protein | 850 | 38% helix, 14% strand | P09186 |
Ligands and binding sites
- FE2 · Fe (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 683 | 0.81 | 0.85 | 65 | empty |
| 2 | 662 | 0.81 | 0.85 | 74 | empty |
| 3 | 413 | 0.71 | 0.82 | 48 | empty |
| 4 | 492 | 0.71 | 0.81 | 46 | empty |
| 5 | 420 | 0.71 | 0.82 | 47 | empty |
Interfaces
1 interface between chains.
- A–B · 798 Ų buried · 10 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 P09186
- Elsewhere: RCSB PDB 1RRL · PDBe 1RRL · UniProt P09186
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