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The crystal structure of the K36A mutant of E. COLI yggs in complex with plp

Analyse The crystal structure of the K36A mutant of E. COLI yggs in complex with plp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7UAT
Type
protein
Length
226 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pyridoxal phosphate homeostasis protein
UniProt
C3SV52
Ligands
PLP, PO4
Pockets
2 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APyridoxal phosphate homeostasis proteinprotein22647% helix, 18% strandC3SV52

Ligands and binding sites

  • PLP · Pyridoxal-5'-phosphate · ligand · chains A
  • PO4 · Phosphate ion · ion · 3 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12030.490.7642PLP
2500.250.7312empty

Compared structures

  • 7UAT · The crystal structure of the K36A mutant of E. coli YGGS in complex with PLP · the same entry in another collection · chain A against A, TM-score 1.00

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