MolNFT v1 · #59085 · protein

Lipoxygenase-1 (soybean) I553G mutant

3BNC · Seed lipoxygenase-1: “Lipoxygenase-1 (soybean) I553G mutant”. X-ray diffraction, 1 ligand (FE), 13 pockets (best druggability 0.82). MolNFT v1 #59085 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3BNC
Type: protein
Length: 823 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Seed lipoxygenase-1
EC: 1.13.11.12
UniProt: P08170
Ligands: FE
Pockets: 13 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Seed lipoxygenase-1 (EC 1.13.11.12)	protein	823	42% helix, 15% strand	P08170

Ligands and binding sites

FE · Fe (III) ion · metal · chains A
ACY · Acetic acid · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

13 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	990	0.82	0.83	97	empty
2	124	0.80	0.98	23	empty
3	382	0.71	0.83	45	empty
4	99	0.48	0.81	16	empty
5	184	0.47	0.76	29	empty

Compared structures

3BNC · Lipoxygenase-1 (Soybean) I553G Mutant · 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

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 P08170
Elsewhere: RCSB PDB 3BNC · PDBe 3BNC · UniProt P08170

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