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Crystal structure of human udp-xylose synthase.

Analyse Crystal structure of human udp-xylose synthase. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4GLL
Type
protein
Length
613 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Udp-glucuronic acid decarboxylase 1
EC
4.1.1.35
UniProt
Q8NBZ7
Ligands
NAD, GAI, SO4
Pockets
4 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUdp-glucuronic acid decarboxylase 1 (EC 4.1.1.35)protein30741% helix, 19% strandQ8NBZ7
BUdp-glucuronic acid decarboxylase 1 (EC 4.1.1.35)protein30640% helix, 18% strandQ8NBZ7

Ligands and binding sites

  • NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
  • GAI · Guanidine · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15020.820.8868NAD, GAI, SO4
27040.790.8376NAD
31070.380.7522empty
41060.370.7421empty

Interfaces

1 interface between chains.

  • A–B · 1519 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 4GLL · Crystal structure of human UDP-xylose synthase. · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8NBZ7 · AlphaFold monomer V2.0 prediction for udp-glucuronic acid decarboxylase 1 (Q8NBZ7) · a predicted model of the same protein · chain B against A, TM-score 0.94

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