MolNFT v1 · #177204 · protein

Trehalase of arabidopsis thaliana acid mutant -D380A trehalose complex

7EAW: “Trehalase of arabidopsis thaliana acid mutant -D380A trehalose complex”. X-ray diffraction, 1 ligand (GLC), 11 pockets (best druggability 0.82). MolNFT v1 #177204 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7EAW
Type: protein
Length: 1,116 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Trehalase
EC: 3.2.1.28
UniProt: Q9SU50
Ligands: GLC
Pockets: 11 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Trehalase (EC 3.2.1.28)	protein	560	52% helix, 11% strand	Q9SU50
B	Trehalase (EC 3.2.1.28)	protein	556	53% helix, 10% strand	Q9SU50

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, B
GOL · Glycerol · additive · 3 copies · chains A, B

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

Pockets

11 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	141	0.82	0.98	27	GLC
2	1169	0.81	0.82	127	empty
3	185	0.78	0.93	34	GLC
4	114	0.44	0.78	17	GOL
5	133	0.42	0.75	24	empty

Interfaces

1 interface between chains.

A–B · 1097 Å² buried · 21 hydrogen bonds · protein-protein

Compared structures

7EAW · Trehalase of Arabidopsis thaliana acid mutant -D380A trehalose complex · the same entry in another collection · chain A against A, TM-score 1.00
Q9SU50 · AlphaFold monomer V2.0 prediction for trehalase (Q9SU50) · a predicted model of the same protein · chain B 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 Q9SU50
Elsewhere: RCSB PDB 7EAW · PDBe 7EAW · UniProt Q9SU50

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.