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MolNFT v1 · #135158 · protein

Lipoxygenase-1 (soybean) L546A/L754A mutant at 300K

5TQO · Seed linoleate 13S-lipoxygenase-1: “Lipoxygenase-1 (soybean) L546A/L754A mutant at 300K”. X-ray diffraction, 1 ligand (FE), 20 pockets (best druggability 0.83). MolNFT v1 #135158 on GenesisL1: 3D structure, binding sites and pockets…

PDB
5TQO
Type
protein
Length
1,639 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Seed linoleate 13S-lipoxygenase-1
EC
1.13.11.12
UniProt
P08170
Ligands
FE
Pockets
20 · best druggability 0.83

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ASeed linoleate 13S-lipoxygenase-1 (EC 1.13.11.12)protein81943% helix, 15% strandP08170
BSeed linoleate 13S-lipoxygenase-1 (EC 1.13.11.12)protein82041% helix, 15% strandP08170

Ligands and binding sites

  • FE · Fe (III) 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, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16700.830.8755empty
27900.830.8669empty
310600.810.82115empty
41360.800.9726empty
51090.780.9724empty

Interfaces

1 interface between chains.

  • A–B · 570 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 5TQO · Lipoxygenase-1 (soybean) L546A/L754A mutant at 300K · 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 A against A, TM-score 1.00

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