MolNFT v1 · #2687 · protein

Mutated shiga-like toxin B subunit (G62T)

1C48 · Protein (shiga-like toxin I B subunit): “Mutated shiga-like toxin B subunit (G62T)”. X-ray diffraction, 1 pocket (best druggability 0.77). MolNFT v1 #2687 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1C48
Type: protein
Length: 345 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein (shiga-like toxin I B subunit)
UniProt: P69178
Pockets: 1 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 19% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E	Protein (shiga-like toxin I B subunit)	protein	69	19% helix, 48% strand	P69178

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	775	0.77	0.80	46	empty

Interfaces

5 interfaces between chains.

A–B · 692 Å² buried · 14 hydrogen bonds · protein-protein
C–D · 674 Å² buried · 12 hydrogen bonds · protein-protein
B–C · 664 Å² buried · 15 hydrogen bonds · protein-protein
A–E · 640 Å² buried · 11 hydrogen bonds · protein-protein
D–E · 601 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

1C48 · Mutated shiga-like toxin B subunit (G62T) · 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 P69178
Elsewhere: RCSB PDB 1C48 · PDBe 1C48 · UniProt P69178

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