MolNFT v1 · #101443 · protein
The structure of human 15-lipoxygenase-2 with a substrate mimic
4NRE · Arachidonate 15-lipoxygenase B: “The structure of human 15-lipoxygenase-2 with a substrate mimic”. X-ray diffraction, 3 ligands (CA, FE2, SO4), 5 pockets (best druggability 0.76). MolNFT v1 #101443 on GenesisL1: 3D structure…
- PDB
- 4NRE
- Type
- protein
- Length
- 675 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arachidonate 15-lipoxygenase B
- EC
- 1.13.11.33, 1.13.11.-
- UniProt
- O15296
- Ligands
- CA, FE2, SO4
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Arachidonate 15-lipoxygenase B (EC 1.13.11.33, 1.13.11.-) | protein | 675 | 46% helix, 14% strand | O15296 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A
- FE2 · Fe (II) ion · metal · chains A
- SO4 · Sulfate ion · ion · 12 copies · chains A
- GOL · Glycerol · additive · 3 copies · chains A
- C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 379 | 0.76 | 0.85 | 41 | C8E |
| 2 | 513 | 0.74 | 0.82 | 55 | SO4 |
| 3 | 396 | 0.65 | 0.79 | 52 | GOL |
| 4 | 245 | 0.62 | 0.81 | 29 | empty |
| 5 | 54 | 0.33 | 0.78 | 15 | empty |
Compared structures
- 4NRE · The structure of human 15-lipoxygenase-2 with a substrate mimic · 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 A 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 4NRE · PDBe 4NRE · UniProt O15296
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