MolNFT v1 · #4623 · protein

The structure of the isolated catalytic domain of diphtheria toxin

1DTP: “The structure of the isolated catalytic domain of diphtheria toxin”. X-ray diffraction, 1 ligand (APU), 1 pocket (best druggability 0.60). MolNFT v1 #4623 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1DTP
Type: protein
Length: 190 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Diphtheria toxin
UniProt: P00588
Ligands: APU
Pockets: 1 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Diphtheria toxin	protein	190	31% helix, 24% strand	P00588

Ligands and binding sites

APU · Adenylyl-3'-5'-phospho-uridine-3'-monophosphate · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	314	0.60	0.78	30	APU

Compared structures

1DTP · The structure of the isolated catalytic domain of diphtheria toxin · 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 P00588
Elsewhere: RCSB PDB 1DTP · PDBe 1DTP · UniProt P00588

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