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Molecular and structural characterization of the pezat chromosomal toxin-antitoxin system of the human pathogen streptococcus pneumoniae

Analyse Molecular and structural characterization of the pezat chromosomal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2P5T
Type
protein
Length
1,379 residues
Chains
9
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fragment of peza helix-turn-helix motif; Putative transcriptional regulator peza; Pezt
UniProt
Q97QZ2, Q97QZ1
Pockets
16 · best druggability 0.80

Structure

x-ray diffraction · 8 distinct chains · 58% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
XFragment of peza helix-turn-helix motifprotein3358% helix, 0% strand—
APutative transcriptional regulator pezaprotein9278% helix, 0% strandQ97QZ2
BPeztprotein24452% helix, 12% strandQ97QZ1
C, GPutative transcriptional regulator pezaprotein9380% helix, 0% strandQ97QZ2
DPeztprotein24753% helix, 12% strandQ97QZ1
EPutative transcriptional regulator pezaprotein9574% helix, 0% strandQ97QZ2
FPeztprotein24050% helix, 12% strandQ97QZ1
HPeztprotein24254% helix, 13% strandQ97QZ1

Pockets

16 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19410.800.8293empty
211270.800.81100empty
310700.750.7898empty
411190.740.7781empty
5570.650.9413empty

Interfaces

10 interfaces between chains.

  • E–F · 1795 Ų buried · 28 hydrogen bonds · protein-protein
  • C–D · 1692 Ų buried · 28 hydrogen bonds · protein-protein
  • A–B · 1638 Ų buried · 20 hydrogen bonds · protein-protein
  • G–H · 1553 Ų buried · 26 hydrogen bonds · protein-protein
  • D–H · 1145 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 2P5T · Molecular and structural characterization of the PezAT chromosomal toxin-antitoxin system… · the same entry in another collection · chain H against H, TM-score 1.00
  • Q97QZ1 · AlphaFold monomer V2.0 prediction for toxin pezt (Q97QZ1) · a predicted model of the same protein · chain F against A, TM-score 0.98
  • Q97QZ2 · AlphaFold monomer V2.0 prediction for antitoxin peza (Q97QZ2) · a predicted model of the same protein · chain A against A, TM-score 0.98

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