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Lipoxygenase-1 (soybean) L546A mutant at 293K

Analyse Lipoxygenase-1 (soybean) L546A mutant at 293K in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5TQN
Type
protein
Length
1,637 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.8
Source
Glycine max
Molecule
Seed linoleate 13S-lipoxygenase-1
EC
1.13.11.12
UniProt
P08170
Ligands
FE2
Pockets
20 · best druggability 0.83

Structure

x-ray diffraction · resolution 1.8 · 2 distinct chains · 42% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASeed linoleate 13S-lipoxygenase-1 (EC 1.13.11.12)protein81942% helix, 15% strandP08170
BSeed linoleate 13S-lipoxygenase-1 (EC 1.13.11.12)protein81842% helix, 15% strandP08170

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

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17930.830.8575empty
27780.820.8570empty
310720.810.82110empty
4900.780.9821empty
5910.770.9822empty

Interfaces

1 interface between chains.

  • A–B · 585 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 5TQN · Lipoxygenase-1 (soybean) L546A mutant at 293K · the same entry in another collection · chain A against A, TM-score 1.00
  • P08170 · AlphaFold monomer V2.0 prediction for seed linoleate 13S-lipoxygenase-1 (P08170) · a predicted model of the same protein · chain B against A, TM-score 1.00

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