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Allantoin racemase from klebsiella pneumoniae

Analyse Allantoin racemase from klebsiella pneumoniae in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3QVL
Type
protein
Length
490 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative hydantoin racemase
UniProt
A6T9E8
Ligands
5HY
Pockets
9 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPutative hydantoin racemaseprotein24550% helix, 15% strandA6T9E8

Ligands and binding sites

  • 5HY · [(4R)-2,5-dioxoimidazolidin-4-yl]acetic acid · ligand · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1710.730.98235HY
2500.700.98255HY
31000.440.7922empty
4700.340.7611empty
5840.330.7418empty

Interfaces

1 interface between chains.

  • A–B · 501 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 3QVL · Allantoin racemase from Klebsiella pneumoniae · the same entry in another collection · chain A against A, TM-score 1.00

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