MolNFT v1 · #102243 · protein

Structure of unliganded trehalose-6-phosphate phosphatase from brugia malayi

4OFZ · Trehalose-phosphatase: “Structure of unliganded trehalose-6-phosphate phosphatase from brugia malayi”. X-ray diffraction, 1 ligand (MG), 5 pockets (best druggability 0.63). MolNFT v1 #102243 on GenesisL1: 3D structure, binding sites…

PDB: 4OFZ
Type: protein
Length: 418 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Trehalose-phosphatase
EC: 3.1.3.12
UniProt: A8NS89
Ligands: MG
Pockets: 5 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Trehalose-phosphatase (EC 3.1.3.12)	protein	418	47% helix, 14% strand	A8NS89

Ligands and binding sites

MG · Magnesium ion · metal · chains A

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

Pockets

5 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	55	0.63	0.93	18	empty
2	296	0.56	0.77	40	MG
3	124	0.56	0.83	32	empty
4	184	0.48	0.76	33	empty
5	52	0.27	0.74	17	empty

Compared structures

4OFZ · Structure of unliganded trehalose-6-phosphate phosphatase from Brugia malayi · the same entry in another collection · chain A against A, TM-score 1.00
A8NS89 · AlphaFold monomer V2.0 prediction for trehalose-phosphatase (A8NS89) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 A8NS89
Elsewhere: RCSB PDB 4OFZ · PDBe 4OFZ · UniProt A8NS89

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