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Crystal structure of selenomethionine substituted 4-pyridoxolactonase from mesorhizobium loti

Analyse Crystal structure of selenomethionine substituted 4-pyridoxolactonase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3AJ3
Type
protein
Length
273 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
4-pyridoxolactonase
EC
3.1.1.27
UniProt
Q988B9
Ligands
ZN, PO4
Pockets
1 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A4-pyridoxolactonase (EC 3.1.1.27)protein27329% helix, 25% strandQ988B9

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A
  • PO4 · Phosphate ion · ion · 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
1510.610.9219empty

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 3AJ3 · Crystal structure of selenomethionine substituted 4-pyridoxolactonase from Mesorhizobium… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q988B9 · AlphaFold monomer V2.0 prediction for 4-pyridoxolactonase (Q988B9) · a predicted model of the same protein · chain A against A, TM-score 0.97

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