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Insights from the X-ray crystal structure of coral 8R- lipoxygenase: calcium activation via a C2-like domain and a structural basis of product chirality

Analyse Insights from the X-ray crystal structure of coral 8R- lipoxygenase: calcium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2FNQ
Type: protein
Length: 1,338 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Allene oxide synthase-lipoxygenase protein
EC: 1.13.11.40
UniProt: O16025
Ligands: CA, FE2
Pockets: 17 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Allene oxide synthase-lipoxygenase protein (EC 1.13.11.40)	protein	669	41% helix, 11% strand	O16025

Ligands and binding sites

CA · Calcium ion · metal · 6 copies · chains A, B
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

17 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	246	0.78	0.91	34	empty
2	242	0.75	0.89	38	empty
3	56	0.71	0.98	17	empty
4	51	0.70	0.97	18	empty
5	383	0.68	0.81	36	empty

Compared structures

2FNQ · Insights from the X-ray crystal structure of coral 8R-lipoxygenase: calcium activation… · the same entry in another collection · chain A against A, TM-score 1.00
O16025 · AlphaFold monomer V2.0 prediction for allene oxide synthase- lipoxygenase protein (O16025) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 O16025
Elsewhere: RCSB PDB 2FNQ · PDBe 2FNQ · UniProt O16025

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