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Q136A mutant of toxic shock syndrome toxin-1 from S. aureus

Analyse Q136A mutant of toxic shock syndrome toxin-1 from S. aureus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1AW7
Type
protein
Length
776 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Toxic shock syndrome toxin-1
UniProt
P06886
Pockets
9 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DToxic shock syndrome toxin-1protein19416% helix, 42% strandP06886

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111250.810.82115empty
27940.800.83101empty
33530.630.7942empty
43980.610.7730empty
53850.600.7733empty

Interfaces

4 interfaces between chains.

  • C–D · 1236 Ų buried · 24 hydrogen bonds · protein-protein
  • A–B · 1223 Ų buried · 23 hydrogen bonds · protein-protein
  • B–D · 316 Ų buried · 2 hydrogen bonds · protein-protein
  • B–C · 156 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 1AW7 · Q136A mutant of toxic shock syndrome toxin-1 from S. aureus · the same entry in another collection · chain A against A, 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 0.98

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