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Crystal structure of tcdb-B1 bound to B39 vhh

Analyse Crystal structure of tcdb-B1 bound to B39 vhh in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4NC2
Type: protein
Length: 243 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Toxin B; B39 vhh
UniProt: P18177
Pockets: 1 · best druggability 0.45

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Toxin B	protein	121	0% helix, 45% strand	P18177
B	B39 vhh	protein	122	7% helix, 50% strand	—

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	128	0.45	0.78	23	empty

Interfaces

1 interface between chains.

A–B · 840 Å² buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

4NC2 · Crystal structure of TcdB-B1 bound to B39 VHH · 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 P18177
Elsewhere: RCSB PDB 4NC2 · PDBe 4NC2 · UniProt P18177

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