MolNFT v1 · #127369 · protein

Glycoside hydrolase BT3686 bound to glucuronic acid

5MUL · Neuraminidase: “Glycoside hydrolase BT3686 bound to glucuronic acid”. X-ray diffraction, 1 ligand (BDP), 4 pockets (best druggability 0.78). MolNFT v1 #127369 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5MUL
Type: protein
Length: 378 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Neuraminidase
UniProt: Q8A1H5
Ligands: BDP
Pockets: 4 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Neuraminidase	protein	378	4% helix, 47% strand	Q8A1H5

Ligands and binding sites

BDP · beta-D-glucopyranuronic acid · sugar · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	820	0.78	0.82	56	empty
2	133	0.45	0.77	25	BDP
3	61	0.36	0.78	21	empty
4	59	0.31	0.76	17	empty

Compared structures

5MUL · Glycoside Hydrolase BT3686 bound to Glucuronic Acid · 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 Q8A1H5
Elsewhere: RCSB PDB 5MUL · PDBe 5MUL · UniProt Q8A1H5

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