MolNFT v1 · #117082 · protein

Structure of aspergillus fumigatus trehalose-6-phosphate phosphatase crystal form 3

5DXO: “Structure of aspergillus fumigatus trehalose-6-phosphate phosphatase crystal form 3”. X-ray diffraction, 1 ligand (MG), 4 pockets (best druggability 0.47). MolNFT v1 #117082 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 5DXO
Type: protein
Length: 544 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Trehalose-6-phosphate phosphatase
EC: 2.4.1.15
UniProt: Q4WWF5
Ligands: MG
Pockets: 4 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Trehalose-6-phosphate phosphatase (EC 2.4.1.15)	protein	272	42% helix, 22% strand	Q4WWF5

Ligands and binding sites

MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	180	0.47	0.76	28	MG
2	187	0.46	0.75	30	MG
3	66	0.31	0.75	14	empty
4	55	0.29	0.75	16	empty

Interfaces

1 interface between chains.

A–B · 87 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

5DXO · Structure of Aspergillus fumigatus trehalose-6-phosphate phosphatase crystal form 3 · the same entry in another collection · 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 Q4WWF5
Elsewhere: RCSB PDB 5DXO · PDBe 5DXO · UniProt Q4WWF5

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