GL1X · GenesisL1 explorer

MolNFT v1 · #136062 · protein

Crystal structure of the core catalytic domain of human O-glcnacase

5UHK · O-glcnacase tim-barrel domain: “Crystal structure of the core catalytic domain of human O-glcnacase”. X-ray diffraction, 6 pockets (best druggability 0.81). MolNFT v1 #136062 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5UHK
Type
protein
Length
846 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
O-glcnacase tim-barrel domain; O-glcnacase stalk domain
EC
3.2.1.169, 3.2.1.-
UniProt
O60502
Pockets
6 · best druggability 0.81

Structure

x-ray diffraction · 4 distinct chains · 49% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AO-glcnacase tim-barrel domain (EC 3.2.1.169, 3.2.1.-)protein30442% helix, 13% strandO60502
BO-glcnacase stalk domain (EC 3.2.1.169, 3.2.1.-)protein12068% helix, 2% strandO60502
CO-glcnacase tim-barrel domain (EC 3.2.1.169, 3.2.1.-)protein30241% helix, 13% strandO60502
DO-glcnacase stalk domain (EC 3.2.1.169, 3.2.1.-)protein12070% helix, 2% strandO60502

Ligands and binding sites

  • GOL · Glycerol · additive · 3 copies · chains A, C

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

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15560.810.8779empty
23240.650.8044GOL
33360.630.7942GOL
4700.530.8713empty
52200.510.7622empty

Interfaces

6 interfaces between chains.

  • B–D · 1341 Ų buried · 6 hydrogen bonds · protein-protein
  • C–D · 1340 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 1329 Ų buried · 17 hydrogen bonds · protein-protein
  • B–C · 1055 Ų buried · 15 hydrogen bonds · protein-protein
  • A–D · 1029 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 5UHK · Crystal structure of the core catalytic domain of Human O-GlcNAcase · the same entry in another collection · chain D against D, TM-score 1.00
  • O60502 · AlphaFold monomer V2.0 prediction for protein O-glcnacase (O60502) · a predicted model of the same protein · chain C against A, TM-score 0.99

Analyse

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.