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Structure of botulinum neurotoxin serotype ha light chain

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

PDB: 6BVD
Type: protein
Length: 854 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Light chain
Ligands: ZN, CA
Pockets: 10 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Light chain	protein	429	33% helix, 19% strand	—
B	Light chain	protein	425	34% helix, 20% strand	—

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A, B
CA · Calcium ion · metal · chains A, B
ACT · Acetate ion · additive · 4 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	473	0.67	0.78	51	ACT
2	447	0.66	0.78	48	ACT
3	337	0.52	0.73	34	empty
4	262	0.51	0.75	43	empty
5	206	0.47	0.74	31	empty

Interfaces

1 interface between chains.

A–B · 744 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

6BVD · Structure of Botulinum Neurotoxin Serotype HA Light Chain · 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
Elsewhere: RCSB PDB 6BVD · PDBe 6BVD

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