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Crystal structure of superantigen-like protein, exotoxin from staphylococcus aureus subsp. aureus nctc 8325

Analyse Crystal structure of superantigen-like protein, exotoxin from staphylococcus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3URY
Type: protein
Length: 386 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Exotoxin
UniProt: Q2G1S8
Ligands: CL
Pockets: 1 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 19% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Exotoxin	protein	193	19% helix, 44% strand	Q2G1S8

Ligands and binding sites

CL · Chloride ion · ion · 4 copies · chains A, B

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	924	0.79	0.81	80	CL

Interfaces

1 interface between chains.

A–B · 575 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

3URY · Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus… · the same entry in another collection · chain A against A, TM-score 1.00
Q2G1S8 · AlphaFold monomer V2.0 prediction for staphylococcal superantigen- like 4 (Q2G1S8) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q2G1S8
Elsewhere: RCSB PDB 3URY · PDBe 3URY · UniProt Q2G1S8

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