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Crystal structure of glycerol uptake operon antiterminator regulatory protein from listeria monocytogenes str. 4B F2365

Analyse Crystal structure of glycerol uptake operon antiterminator regulatory protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3KTS
Type
protein
Length
1,474 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycerol uptake operon antiterminator regulatory protein
UniProt
Q71ZR5
Ligands
UNL
Pockets
20 · best druggability 0.68

Structure

x-ray diffraction · 4 distinct chains · 40% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, E, G, HGlycerol uptake operon antiterminator regulatory proteinprotein18541% helix, 24% strandQ71ZR5
CGlycerol uptake operon antiterminator regulatory proteinprotein18237% helix, 24% strandQ71ZR5
DGlycerol uptake operon antiterminator regulatory proteinprotein18342% helix, 23% strandQ71ZR5
FGlycerol uptake operon antiterminator regulatory proteinprotein18441% helix, 23% strandQ71ZR5

Ligands and binding sites

  • UNL · Unknown ligand · ligand · 8 copies · chains A, B, C, D, E, F, G, H

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

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16160.680.7752empty
22940.590.7842UNL
31040.550.8423UNL
41000.540.8424UNL
52360.540.7741UNL

Interfaces

11 interfaces between chains.

  • G–H · 845 Ų buried · 3 hydrogen bonds · protein-protein
  • C–D · 828 Ų buried · 0 hydrogen bonds · protein-protein
  • E–F · 822 Ų buried · 2 hydrogen bonds · protein-protein
  • A–B · 805 Ų buried · 0 hydrogen bonds · protein-protein
  • C–F · 707 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 3KTS · CRYSTAL STRUCTURE OF GLYCEROL UPTAKE OPERON ANTITERMINATOR REGULATORY PROTEIN FROM… · the same entry in another collection · chain A against A, TM-score 1.00

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