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BLAR1 sensor domain from staphylococcus aureus with N439V mutation

Analyse BLAR1 sensor domain from staphylococcus aureus with N439V mutation in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3UY6
Type
protein
Length
504 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Regulatory protein BLAR1
UniProt
P18357
Ligands
SO4
Pockets
2 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRegulatory protein BLAR1protein25235% helix, 26% strandP18357

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110280.770.7996GOL
2890.350.7522empty

Interfaces

1 interface between chains.

  • A–B · 573 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 3UY6 · BlaR1 sensor domain from Staphylococcus aureus with N439V mutation · the same entry in another collection · chain A against A, TM-score 1.00
  • P18357 · AlphaFold monomer V2.0 prediction for regulatory protein BLAR1 (P18357) · a predicted model of the same protein · chain A against A, TM-score 0.99

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