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The crystal structure of a conserved protein of unknown function from Streptococcus thermophilus LMG 18311.

Analyse The crystal structure of a conserved protein of unknown function from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2QZI
Type
protein
Length
401 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.2
Source
Streptococcus thermophilus
Molecule
Uncharacterized protein
UniProt
Q5M594
Ligands
NA
Pockets
6 · best druggability 0.61

Structure

x-ray diffraction · resolution 2.2 · 2 distinct chains · 24% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CUncharacterized proteinprotein10130% helix, 39% strandQ5M594
DUncharacterized proteinprotein9818% helix, 37% strandQ5M594

Ligands and binding sites

  • NA · Sodium ion · metal · 7 copies · chains A, B, C
  • EDO · 1,2-ethanediol · additive · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13350.610.7839empty
23300.610.7846empty
32360.510.7639empty
4520.450.8516empty
51100.420.7718empty

Interfaces

5 interfaces between chains.

  • A–D · 591 Ų buried · 4 hydrogen bonds · protein-protein
  • B–C · 559 Ų buried · 1 hydrogen bond · protein-protein
  • C–D · 407 Ų buried · 6 hydrogen bonds · protein-protein
  • A–B · 339 Ų buried · 5 hydrogen bonds · protein-protein
  • B–D · 43 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 7 modified (engineered).

Compared structures

  • 2QZI · The crystal structure of a conserved protein of unknown function from streptococcus… · the same entry in another collection · chain A against A, TM-score 1.00

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