MolNFT v1 · #127357 · protein

Moa-E-64 complex

5MU9 · Agglutinin: “Moa-E-64 complex”. X-ray diffraction, 6 ligands (E64, GLA, FUC), 1 pocket (best druggability 0.54). MolNFT v1 #127357 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5MU9
Type: protein
Length: 292 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Agglutinin
UniProt: Q8X123
Ligands: E64, GLA, FUC, GAL, CA, NA
Pockets: 1 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 19% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Agglutinin	protein	292	19% helix, 37% strand	Q8X123

Ligands and binding sites

E64 · N-[N-[1-hydroxycarboxyethyl-carbonyl]leucylamino-butyl]-guanidine · ligand · chains A
GLA · alpha-D-galactopyranose · sugar · 5 copies · chains A
FUC · alpha-L-fucopyranose · sugar · 3 copies · chains A
GAL · beta-D-galactopyranose · sugar · chains A
CA · Calcium ion · metal · 3 copies · chains A
NA · Sodium ion · metal · chains A
EDO · 1,2-ethanediol · additive · chains A
ACT · Acetate ion · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	148	0.54	0.80	23	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

5MU9 · MOA-E-64 complex · 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 Q8X123
Elsewhere: RCSB PDB 5MU9 · PDBe 5MU9 · UniProt Q8X123

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