MolNFT v1 · #158381 · protein
Crystal structure of fungal lipoxygenase from fusarium graminearum. P21 crystal form.
6NS6: “Crystal structure of fungal lipoxygenase from fusarium graminearum. P21 crystal form.”. X-ray diffraction, 1 ligand (FE2), 19 pockets (best druggability 0.81). MolNFT v1 #158381 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6NS6
- Type
- protein
- Length
- 1,330 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipoxygenase
- EC
- 1.13.11.-
- UniProt
- I1REW2
- Ligands
- FE2
- Pockets
- 19 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipoxygenase (EC 1.13.11.-) | protein | 666 | 53% helix, 9% strand | I1REW2 |
| B | Lipoxygenase (EC 1.13.11.-) | protein | 664 | 53% helix, 9% strand | I1REW2 |
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
19 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 182 | 0.81 | 0.96 | 31 | empty |
| 2 | 193 | 0.81 | 0.95 | 30 | empty |
| 3 | 949 | 0.79 | 0.81 | 85 | empty |
| 4 | 903 | 0.78 | 0.81 | 83 | empty |
| 5 | 665 | 0.74 | 0.80 | 60 | empty |
Interfaces
1 interface between chains.
- A–B · 4451 Ų buried · 46 hydrogen bonds · protein-protein
Compared structures
- 6NS6 · Crystal structure of fungal lipoxygenase from Fusarium graminearum. P21 crystal form. · the same entry in another collection · chain A against A, TM-score 1.00
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 I1REW2
- Elsewhere: RCSB PDB 6NS6 · PDBe 6NS6 · UniProt I1REW2
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