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MolNFT v1 · #134452 · protein

Plp and GABA trigger gabr-mediated transcription regulation in bacillus subsidies via external aldimine formation

5T4J · Hth-type transcriptional regulatory protein gabr: “Plp and GABA trigger gabr-mediated transcription regulation in bacillus subsidies via external aldimine…”. X-ray diffraction, 2 ligands (PLP, ABU), 2 pockets (best druggability…

PDB
5T4J
Type
protein
Length
360 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hth-type transcriptional regulatory protein gabr
UniProt
P94426
Ligands
PLP, ABU
Pockets
2 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BHth-type transcriptional regulatory protein gabrprotein36044% helix, 17% strandP94426

Ligands and binding sites

  • PLP · Pyridoxal-5'-phosphate · ligand · chains B
  • ABU · Gamma-amino-butanoic acid · ligand · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11900.630.8431PLP, ABU
2850.480.8220empty

Compared structures

  • 5T4J · PLP and GABA Trigger GabR-Mediated Transcription Regulation in Bacillus subsidies via… · the same entry in another collection · chain B against B, TM-score 1.00
  • P94426 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulatory protein gabr… · a predicted model of the same protein · chain B against A, TM-score 0.99

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