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Botulinum neurotoxin type B catalytic domain

Analyse Botulinum neurotoxin type B catalytic domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1F82
Type: protein
Length: 424 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Botulinum neurotoxin type B
EC: 3.4.24.69
UniProt: P10844
Ligands: ZN
Pockets: 4 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Botulinum neurotoxin type B (EC 3.4.24.69)	protein	424	31% helix, 15% strand	P10844

Ligands and binding sites

ZN · Zinc ion · metal · 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	469	0.67	0.79	45	empty
2	76	0.40	0.78	16	empty
3	97	0.39	0.76	21	empty
4	59	0.31	0.76	16	empty

Compared structures

1F82 · Botulinum neurotoxin type B catalytic domain · the same entry in another collection · chain A against A, TM-score 1.00
P10844 · AlphaFold monomer V2.0 prediction for botulinum neurotoxin type B (P10844) · a predicted model of the same protein · chain A against A, TM-score 0.92

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 P10844
Elsewhere: RCSB PDB 1F82 · PDBe 1F82 · UniProt P10844

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