MolNFT v1 · #21626 · protein

Nucleotide-free diphtheria toxin

1SGK · Diphtheria toxin (dimeric): “Nucleotide-free diphtheria toxin”. X-ray diffraction, 3 pockets (best druggability 0.57). MolNFT v1 #21626 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1SGK
Type: protein
Length: 523 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Diphtheria toxin (dimeric)
EC: 2.4.2.36
UniProt: P00588
Pockets: 3 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Diphtheria toxin (dimeric) (EC 2.4.2.36)	protein	523	35% helix, 27% strand	P00588

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	311	0.57	0.76	29	empty
2	121	0.38	0.74	22	empty
3	57	0.35	0.79	15	empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

1SGK · Nucleotide-free 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 1SGK · PDBe 1SGK · UniProt P00588

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