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Crystal Structure of PstS (BB_0215) from Borrelia burgdorferi

Analyse Crystal Structure of PstS (BB_0215) from Borrelia burgdorferi in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4N13
Type
protein
Length
253 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.3
Source
Borrelia burgdorferi
Molecule
Phosphate ABC transporter, periplasmic phosphate-binding protein
UniProt
O51233
Ligands
SO4
Pockets
1 · best druggability 0.38

Structure

x-ray diffraction · resolution 1.3 · 1 distinct chain · 40% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphate ABC transporter, periplasmic phosphate-binding proteinprotein25340% helix, 25% strandO51233

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 4 copies · chains A
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11070.380.7525SO4

Compared structures

  • 4N13 · Crystal structure of psts (BB_0215) from borrelia burgdorferi · the same entry in another collection · chain A against A, TM-score 1.00
  • O51233 · AlphaFold monomer V2.0 prediction for phosphate-binding protein psts (O51233) · a predicted model of the same protein · chain A against A, TM-score 0.98

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