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Structure of human D-glucuronyl C5 epimerase in complex with product

Analyse Structure of human D-glucuronyl C5 epimerase in complex with product in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6I02
Type
protein
Length
1,027 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
D-glucuronyl C5-epimerase
EC
5.1.3.17
UniProt
O94923
Ligands
IDR, GNS, NAG, MAN, BMA, CA
Pockets
7 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AD-glucuronyl C5-epimerase (EC 5.1.3.17)protein51132% helix, 30% strandO94923
BD-glucuronyl C5-epimerase (EC 5.1.3.17)protein51631% helix, 29% strandO94923

Ligands and binding sites

  • IDR · alpha-L-idopyranuronic acid · ligand · 8 copies · chains A, B
  • GNS · 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose · ligand · 7 copies · chains A, B
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains A, B
  • MAN · alpha-D-mannopyranose · sugar · 5 copies · chains A, B
  • BMA · beta-D-mannopyranose · sugar · 4 copies · chains A, B
  • CA · Calcium ion · metal · 2 copies · chains A, B
  • GOL · Glycerol · additive · 11 copies · chains A, B
  • MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A, B
  • P6G · Hexaethylene glycol · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13130.760.8847GOL
23130.640.8052GOL
33060.620.8047GOL
42600.580.7932GNS, IDR
52620.580.7937GNS, IDR

Interfaces

1 interface between chains.

  • A–B · 3327 Ų buried · 42 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 glycan (N-glycosylation).

Compared structures

  • 6I02 · Structure of human D-glucuronyl C5 epimerase in complex with product · the same entry in another collection · chain A against A, TM-score 1.00
  • O94923 · AlphaFold monomer V2.0 prediction for D-glucuronyl C5-epimerase (O94923) · a predicted model of the same protein · chain B against A, TM-score 1.00

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