MolNFT v1 · #108758 · protein
Lipoxygenase-1 (soybean) L546A/L754A mutant
4WHA · Seed linoleate 13S-lipoxygenase-1: “Lipoxygenase-1 (soybean) L546A/L754A mutant”. X-ray diffraction, 1 ligand (FE), 14 pockets (best druggability 0.83). MolNFT v1 #108758 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4WHA
- Type
- protein
- Length
- 822 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Seed linoleate 13S-lipoxygenase-1
- EC
- 1.13.11.12
- UniProt
- P08170
- Ligands
- FE
- Pockets
- 14 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Seed linoleate 13S-lipoxygenase-1 (EC 1.13.11.12) | protein | 822 | 42% helix, 15% strand | P08170 |
Ligands and binding sites
- FE · Fe (III) ion · metal · chains A
- ACT · Acetate ion · additive · 8 copies · chains A
- EDO · 1,2-ethanediol · additive · 7 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 684 | 0.83 | 0.87 | 57 | EDO |
| 2 | 113 | 0.78 | 0.97 | 24 | EDO |
| 3 | 376 | 0.69 | 0.82 | 45 | EDO |
| 4 | 262 | 0.56 | 0.77 | 35 | empty |
| 5 | 147 | 0.47 | 0.78 | 30 | empty |
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 P08170
- Elsewhere: RCSB PDB 4WHA · PDBe 4WHA · UniProt P08170
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