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Lipoxygenase in complex with protocatechuic acid

Analyse Lipoxygenase in complex with protocatechuic acid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1N8Q
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: DHB, FE2
Pockets: 9 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lipoxygenase-3 (EC 1.13.11.12)	protein	849	38% helix, 16% strand	P09186

Ligands and binding sites

DHB · 3,4-dihydroxybenzoic acid · 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

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	656	0.80	0.85	73	empty
2	485	0.75	0.83	46	empty
3	51	0.71	0.98	19	DHB
4	382	0.70	0.82	40	empty
5	108	0.51	0.82	17	empty

Compared structures

1N8Q · Lipoxygenase in complex with protocatechuic acid · 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 1N8Q · PDBe 1N8Q · UniProt P09186

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