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X-ray structure of the K185A mutant of wbpe (wlbe) from pseudomonas aeruginosa in complex with plp at 1.45 ångström resolution

Analyse X-ray structure of the K185A mutant of wbpe (wlbe) from pseudomonas aeruginosa… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3NYS
Type
protein
Length
359 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Aminotransferase wbpe
UniProt
Q9HZ76
Ligands
PLP, NA
Pockets
1 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAminotransferase wbpeprotein35943% helix, 16% strandQ9HZ76

Ligands and binding sites

  • PLP · Pyridoxal-5'-phosphate · ligand · chains A
  • NA · Sodium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11960.590.8124PLP

Compared structures

  • 3NYS · X-ray structure of the K185A mutant of WbpE (WlbE) from pseudomonas aeruginosa in complex… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9HZ76 · AlphaFold monomer V2.0 prediction for udp-2-acetamido-2-deoxy-3-oxo- D-glucuronate… · a predicted model of the same protein · chain A against A, TM-score 1.00

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