MolNFT v1 · #72406 · protein

Crystal structure of botulinum neurotoxin serotype C1 binding domain

3N7K · Botulinum neurotoxin type C1: “Crystal structure of botulinum neurotoxin serotype C1 binding domain”. X-ray diffraction, 10 pockets (best druggability 0.62). MolNFT v1 #72406 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 3N7K
Type: protein
Length: 843 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Botulinum neurotoxin type C1
UniProt: P18640
Pockets: 10 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Botulinum neurotoxin type C1	protein	422	7% helix, 48% strand	P18640
B	Botulinum neurotoxin type C1	protein	421	8% helix, 47% strand	P18640

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	0.62	0.76	46	empty
2	377	0.59	0.76	35	empty
3	201	0.53	0.78	34	empty
4	160	0.51	0.78	27	empty
5	88	0.44	0.80	22	empty

Interfaces

1 interface between chains.

A–B · 773 Å² buried · 13 hydrogen bonds · protein-protein

Compared structures

3N7K · Crystal structure of botulinum neurotoxin serotype C1 binding domain · 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 P18640
Elsewhere: RCSB PDB 3N7K · PDBe 3N7K · UniProt P18640

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