MolNFT v2 · #179354 · protein

Trehalase of Arabidopsis thaliana

7E9U: “Trehalase of Arabidopsis thaliana”. X-ray diffraction at 2.1, 2 ligands (NA, PO4), 6 pockets (best druggability 0.86). MolNFT v2 #179354 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7E9U
Type: protein
Length: 1,079 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.1
Source: Arabidopsis thaliana
Molecule: Trehalase
EC: 3.2.1.28
UniProt: Q9SU50
Ligands: NA, PO4
Pockets: 6 · best druggability 0.86

Structure

x-ray diffraction · resolution 2.1 · 2 distinct chains · 54% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Trehalase (EC 3.2.1.28)	protein	540	54% helix, 11% strand	Q9SU50
B	Trehalase (EC 3.2.1.28)	protein	539	53% helix, 10% strand	Q9SU50

Ligands and binding sites

NA · Sodium ion · metal · 2 copies · chains A, B
PO4 · Phosphate ion · ion · 2 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

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	973	0.86	0.87	107	empty
2	104	0.79	0.98	25	GOL, PO4, NA
3	98	0.77	0.98	25	GOL, PO4, NA
4	128	0.55	0.82	13	empty
5	66	0.31	0.75	23	empty

Interfaces

1 interface between chains.

A–B · 876 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

7E9U · Trehalase of arabidopsis thaliana · 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 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 Q9SU50
Elsewhere: RCSB PDB 7E9U · PDBe 7E9U · UniProt Q9SU50

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