MolNFT v1 · #117531 · protein

5-epi-aristolochene synthase from nicotiana tabacum

5EAU: “5-epi-aristolochene synthase from nicotiana tabacum”. X-ray diffraction, 2 ligands (FFF, MG), 6 pockets (best druggability 0.81). MolNFT v1 #117531 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5EAU
Type: protein
Length: 523 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 5-epi-aristolochene synthase
UniProt: Q40577
Ligands: FFF, MG
Pockets: 6 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	5-epi-aristolochene synthase	protein	523	72% helix, 0% strand	Q40577

Ligands and binding sites

FFF · Trifluorofurnesyl diphosphate · ligand · chains A
MG · Magnesium ion · metal · 2 copies · chains A

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	518	0.81	0.87	49	empty
2	667	0.80	0.84	64	MG, FFF
3	344	0.62	0.78	32	empty
4	205	0.58	0.80	27	empty
5	82	0.46	0.81	16	empty

Compared structures

5EAU · 5-epi-aristolochene synthase from nicotiana tabacum · the same entry in another collection · chain A against A, TM-score 1.00
Q40577 · AlphaFold monomer V2.0 prediction for 5-epi-aristolochene synthase (Q40577) · 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 Q40577
Elsewhere: RCSB PDB 5EAU · PDBe 5EAU · UniProt Q40577

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