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Crystal structure of diphtheria toxin at acidic pH

Analyse Crystal structure of diphtheria toxin at acidic pH in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4OW6
Type: protein
Length: 965 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Diphtheria toxin
EC: 2.4.2.36
UniProt: H2GU79
Pockets: 15 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 26% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Diphtheria toxin (EC 2.4.2.36)	protein	477	26% helix, 29% strand	H2GU79
B	Diphtheria toxin (EC 2.4.2.36)	protein	488	26% helix, 28% strand	H2GU79

Pockets

15 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	809	0.77	0.81	85	empty
2	724	0.75	0.81	71	empty
3	732	0.74	0.79	86	empty
4	73	0.68	0.94	26	empty
5	272	0.65	0.82	27	empty

Interfaces

1 interface between chains.

A–B · 545 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

4OW6 · Crystal structure of Diphtheria Toxin at acidic pH · 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 H2GU79
Elsewhere: RCSB PDB 4OW6 · PDBe 4OW6 · UniProt H2GU79

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