MolNFT v1 · #152345 · protein

Onion lachrymatory factor synthase (lfs) containing (E)-2-propen 1-ol (crotyl alcohol)

6IES · Lachrymatory-factor synthase: “Onion lachrymatory factor synthase (lfs) containing (E)-2-propen 1-ol (crotyl alcohol)”. X-ray diffraction, 1 ligand (9A7), 1 pocket (best druggability 0.31). MolNFT v1 #152345 on GenesisL1: 3D…

PDB: 6IES
Type: protein
Length: 302 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lachrymatory-factor synthase
UniProt: P59082
Ligands: 9A7
Pockets: 1 · best druggability 0.31

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Lachrymatory-factor synthase	protein	151	27% helix, 45% strand	P59082

Ligands and binding sites

9A7 · (2E)-but-2-en-1-ol · ligand · 2 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	86	0.31	0.73	25	empty

Interfaces

1 interface between chains.

A–B · 446 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

6IES · Onion lachrymatory factor synthase (LFS) containing (E)-2-propen 1-ol (crotyl alcohol) · the same entry in another collection · chain A against A, TM-score 1.00
P59082 · AlphaFold monomer V2.0 prediction for lachrymatory-factor synthase (P59082) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P59082
Elsewhere: RCSB PDB 6IES · PDBe 6IES · UniProt P59082

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