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Structure of the W34A mutant of shiga-like toxin I B subunit

Analyse Structure of the W34A mutant of shiga-like toxin I B subunit in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1CZW
Type: protein
Length: 690 residues
Chains: 10
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Shiga toxin B-chain
UniProt: P69178
Pockets: 3 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H, I, J	Shiga toxin B-chain	protein	69	14% helix, 46% strand	P69178

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	779	0.71	0.77	47	empty
2	744	0.71	0.77	45	empty
3	240	0.48	0.74	26	empty

Interfaces

11 interfaces between chains.

F–J · 653 Å² buried · 13 hydrogen bonds · protein-protein
A–E · 651 Å² buried · 11 hydrogen bonds · protein-protein
F–G · 650 Å² buried · 10 hydrogen bonds · protein-protein
C–D · 650 Å² buried · 13 hydrogen bonds · protein-protein
B–C · 649 Å² buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

1CZW · Structure of the W34A mutant of shiga-like toxin I B subunit · 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 1CZW · PDBe 1CZW · UniProt P69178

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