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MolNFT v1 · #141249 · protein

The crystal structure of ruminococcus gnavus beta-glucuronidase

5Z18: “The crystal structure of ruminococcus gnavus beta-glucuronidase”. X-ray diffraction, 20 pockets (best druggability 0.86). MolNFT v1 #141249 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5Z18
Type
protein
Length
3,519 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-glucuronidase
UniProt
Q6W7J7
Pockets
20 · best druggability 0.86

Structure

x-ray diffraction · 5 distinct chains · 20% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBeta-glucuronidaseprotein58620% helix, 34% strandQ6W7J7
CBeta-glucuronidaseprotein58820% helix, 34% strandQ6W7J7
DBeta-glucuronidaseprotein59121% helix, 34% strandQ6W7J7
EBeta-glucuronidaseprotein58621% helix, 34% strandQ6W7J7
FBeta-glucuronidaseprotein58220% helix, 35% strandQ6W7J7

Pockets

20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19500.860.8797empty
28190.840.8681empty
311790.820.83154empty
410840.750.78110empty
51730.730.9023empty

Interfaces

7 interfaces between chains.

  • C–F · 1853 Ų buried · 27 hydrogen bonds · protein-protein
  • C–E · 1596 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 1582 Ų buried · 11 hydrogen bonds · protein-protein
  • E–F · 622 Ų buried · 12 hydrogen bonds · protein-protein
  • A–E · 614 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 5Z18 · The crystal structure of Ruminococcus gnavus beta-glucuronidase · the same entry in another collection · chain A against A, TM-score 1.00

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