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Toxic shock syndrome toxin-1 at 2.07 a resolution

Analyse Toxic shock syndrome toxin-1 at 2.07 a resolution in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2QIL
Type: protein
Length: 582 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Toxic shock syndrome toxin-1
UniProt: P06886
Pockets: 6 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Toxic shock syndrome toxin-1	protein	194	17% helix, 45% strand	P06886

Pockets

6 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	982	0.78	0.80	75	empty
2	318	0.69	0.83	33	empty
3	81	0.39	0.77	14	empty
4	60	0.34	0.77	14	empty
5	70	0.33	0.75	13	empty

Interfaces

2 interfaces between chains.

A–C · 1276 Å² buried · 20 hydrogen bonds · protein-protein
A–B · 259 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

2QIL · Toxic shock syndrome toxin-1 at 2.07 a resolution · the same entry in another collection · chain B against B, TM-score 1.00
P06886 · AlphaFold monomer V2.0 prediction for toxic shock syndrome toxin-1 (P06886) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 P06886
Elsewhere: RCSB PDB 2QIL · PDBe 2QIL · UniProt P06886

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