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Crystal structure of M. tuberculosis uspc (tetragonal crystal form)

Analyse Crystal structure of M. tuberculosis uspc (tetragonal crystal form) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5K2X
Type
protein
Length
414 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sugar ABC transporter permease
UniProt
A0A0T5Y5I3
Ligands
IOD
Pockets
4 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASugar ABC transporter permeaseprotein41446% helix, 18% strandA0A0T5Y5I3

Ligands and binding sites

  • IOD · Iodide ion · ion · 14 copies · chains A
  • EDO · 1,2-ethanediol · additive · chains A
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14580.600.7581IOD
21570.410.7426empty
3680.310.7516EDO, MPD
4540.260.7316IOD

Compared structures

  • 5K2X · Crystal structure of M. tuberculosis UspC (tetragonal crystal form) · the same entry in another collection · chain A against A, TM-score 1.00

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