Research workbench
15-lipoxygenase-2 loop mutant bound to imidazole-based inhibitor
Analyse 15-lipoxygenase-2 loop mutant bound to imidazole-based inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7LAF
- Type
- protein
- Length
- 1,318 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyunsaturated fatty acid lipoxygenase ALOX15B
- EC
- 1.13.11.33
- UniProt
- O15296
- Ligands
- XRP, MN
- Pockets
- 13 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyunsaturated fatty acid lipoxygenase ALOX15B (EC 1.13.11.33) | protein | 663 | 45% helix, 15% strand | O15296 |
| B | Polyunsaturated fatty acid lipoxygenase ALOX15B (EC 1.13.11.33) | protein | 655 | 45% helix, 13% strand | O15296 |
Ligands and binding sites
- XRP · 3-{[(4-methylphenyl)methyl]sulfanyl}-1-phenyl-1H-1,2,4-triazole · ligand · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1032 | 0.86 | 0.86 | 96 | XRP |
| 2 | 695 | 0.79 | 0.84 | 97 | empty |
| 3 | 928 | 0.77 | 0.80 | 80 | empty |
| 4 | 338 | 0.66 | 0.80 | 53 | empty |
| 5 | 213 | 0.63 | 0.82 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 866 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7LAF · 15-lipoxygenase-2 loop mutant bound to imidazole-based inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- O15296 · AlphaFold monomer V2.0 prediction for polyunsaturated fatty acid lipoxygenase ALOX15B… · 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 O15296
- Elsewhere: RCSB PDB 7LAF · PDBe 7LAF · UniProt O15296
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