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Crystal Structure of the periplasmic domain of the chimeric LPS O-antigen chain length regulator protein

Analyse Crystal Structure of the periplasmic domain of the chimeric LPS O-antigen chain… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4E2C
Type
protein
Length
465 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.8
Source
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720); Shigella flexneri
Molecule
chimeric WzzB Chain length determinant protein
UniProt
P37792, Q04866
Pockets
4 · best druggability 0.68

Structure

x-ray diffraction · resolution 2.8 · 2 distinct chains · 60% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
Achimeric WzzB Chain length determinant proteinprotein23359% helix, 11% strandP37792, Q04866
Bchimeric WzzB Chain length determinant proteinprotein23261% helix, 11% strandP37792, Q04866

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15950.680.7760empty
23060.670.8237empty
3760.350.7613empty
4520.260.7414empty

Interfaces

1 interface between chains.

  • A–B · 2030 Ų buried · 30 hydrogen bonds · protein-protein

Compared structures

  • 4E2C · Crystal structure of the periplasmic domain of the chimeric lps O- antigen chain length… · the same entry in another collection · chain A against A, TM-score 1.00
  • P37792 · AlphaFold monomer V2.0 prediction for chain length determinant protein (P37792) · a predicted model of the same protein · chain B against A, TM-score 0.98
  • Q04866 · AlphaFold monomer V2.0 prediction for chain length determinant protein (Q04866) · a predicted model of the same protein · chain A against A, TM-score 0.91

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