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Crystal structure of botulinum neurotoxin serotype a

Analyse Crystal structure of botulinum neurotoxin serotype a in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3BTA
Type: protein
Length: 1,277 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein (botulinum neurotoxin type a)
EC: 3.4.24.69
UniProt: P10845
Ligands: ZN
Pockets: 11 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein (botulinum neurotoxin type a) (EC 3.4.24.69)	protein	1277	28% helix, 20% strand	P10845

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

11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1032	0.84	0.85	108	empty
2	1077	0.81	0.82	70	ZN
3	644	0.76	0.82	87	empty
4	608	0.70	0.79	68	empty
5	393	0.69	0.82	35	empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

3BTA · Crystal structure of botulinum neurotoxin serotype a · 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 P10845
Elsewhere: RCSB PDB 3BTA · PDBe 3BTA · UniProt P10845

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