MolNFT v1 · #11470 · protein
Lipoxygenase-3 (soybean) complex with epigallocathechin (egc)
1JNQ: “Lipoxygenase-3 (soybean) complex with epigallocathechin (egc)”. X-ray diffraction, 2 ligands (EGT, FE2), 11 pockets (best druggability 0.82). MolNFT v1 #11470 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1JNQ
- Type
- protein
- Length
- 849 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipoxygenase-3
- EC
- 1.13.11.12
- UniProt
- P09186
- Ligands
- EGT, FE2
- Pockets
- 11 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipoxygenase-3 (EC 1.13.11.12) | protein | 849 | 37% helix, 15% strand | P09186 |
Ligands and binding sites
- EGT · 2-(3,4,5-trihydroxy-phenyl)-chroman-3,5,7-triol · ligand · chains A
- FE2 · Fe (II) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 151 | 0.82 | 0.98 | 30 | EGT |
| 2 | 750 | 0.81 | 0.84 | 70 | empty |
| 3 | 58 | 0.72 | 0.99 | 20 | empty |
| 4 | 471 | 0.71 | 0.81 | 45 | empty |
| 5 | 344 | 0.68 | 0.82 | 34 | empty |
Compared structures
- 1JNQ · Lipoxygenase-3 (soybean) complex with epigallocathechin (egc) · the same entry in another collection · chain A against A, TM-score 1.00
- P09186 · AlphaFold monomer V2.0 prediction for seed linoleate 9S-lipoxygenase-3 (P09186) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 1JNQ · PDBe 1JNQ · UniProt P09186
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