Research workbench

Crystal structure of HCR/T complexed with GT2 and lactose

Analyse Crystal structure of HCR/T complexed with GT2 and lactose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3HN1
Type: protein
Length: 442 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tetanus toxin
EC: 3.4.24.68
UniProt: P04958
Ligands: SIA, GLA, SO4
Pockets: 5 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tetanus toxin (EC 3.4.24.68)	protein	442	7% helix, 45% strand	P04958

Ligands and binding sites

SIA · N-acetyl-alpha-neuraminic acid · sugar · 2 copies · chains A
GLA · alpha-D-galactopyranose · sugar · chains A
SO4 · Sulfate ion · ion · 3 copies · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	136	0.48	0.78	21	empty
2	123	0.40	0.75	23	empty
3	57	0.36	0.79	15	empty
4	65	0.33	0.76	22	empty
5	51	0.28	0.75	15	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

3HN1 · Crystal structure of HCR/T complexed with GT2 and lactose · the same entry in another collection · chain A against A, TM-score 1.00
P04958 · AlphaFold monomer V2.0 prediction for tetanus toxin (P04958) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P04958
Elsewhere: RCSB PDB 3HN1 · PDBe 3HN1 · UniProt P04958

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.