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Beta-lactam-sensor domain of BLAR1 (apo) from staphylococcus aureus with carboxylated LYS392

Analyse Beta-lactam-sensor domain of BLAR1 (apo) from staphylococcus aureus with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3Q7V
Type
protein
Length
504 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-lactamase regulatory protein BLAR1
UniProt
Q7WU28
Ligands
SO4
Pockets
2 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBeta-lactamase regulatory protein BLAR1protein25236% helix, 25% strandQ7WU28

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 4 copies · chains A, B
  • GOL · Glycerol · additive · 4 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
19920.770.8094GOL
21130.380.7426empty

Interfaces

1 interface between chains.

  • A–B · 574 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (carboxylation).

Compared structures

  • 3Q7V · Beta-Lactam-Sensor Domain of BlaR1 (Apo) from Staphylococcus Aureus with Carboxylated… · the same entry in another collection · chain A against A, TM-score 1.00

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