› 7ou6

X-ray diffraction
2.41Å resolution

Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines

Released:
DOI: 10.2210/pdb7ou6/pdb
Model geometry
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PDB entry 7ou6 coloured by chain, front view.
PDB entry 7ou6 coloured by chain, side view.
PDB entry 7ou6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Bicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications
Gonzalez-Cuesta M, Sidhu P, Ashmus RA, Males A, Proceviat C, Madden Z, Rogalski JC, Busmann JA, Foster LJ, Garcia Fernandez JM, Davies GJ, Ortiz Mellet C, Vocadlo DJ
J. Am. Chem. Soc. 144 832-844 (2022)

Function and Biology Details

Reaction catalysed: 
[Protein]-3-O-(N-acetyl-beta-D-glucosaminyl)-L-serine + H(2)O = [protein]-L-serine + N-acetyl-D-glucosamine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130001 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein O-GlcNAcase Chains: AAA, BBB
Molecule details ›
Chains: AAA, BBB
Length: 916 amino acids
Theoretical weight: 103.02 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60502 (Residues: 1-916; Coverage: 100%)
Gene names: HEXC, KIAA0679, MEA5, MGEA5, OGA
Sequence domains: beta-N-acetylglucosaminidase

Ligands and Environments

1 bound ligand:
Ligand 1XI 2 x 1XI
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P43212
Unit cell:
a: 101.288Å b: 101.288Å c: 284.519Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.222 0.22 0.271
Expression system: Escherichia coli

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