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MolNFT v1 · #119370 · protein

The complexity of the ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition

5FU3 · CBM74-RFGH5: “The complexity of the ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition”. X-ray diffraction, 2 ligands (BGC, NA), 1 pocket (best druggability 0.51). MolNFT v1 #119370 on GenesisL1: 3D…

PDB
5FU3
Type
protein
Length
193 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CBM74-RFGH5
Ligands
BGC, NA
Pockets
1 · best druggability 0.51

Structure

x-ray diffraction · 2 distinct chains · 3% helix, 61% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACBM74-RFGH5protein943% helix, 63% strand—
BCBM74-RFGH5protein993% helix, 60% strand—

Ligands and binding sites

  • BGC · beta-D-glucopyranose · sugar · 6 copies · chains A, B
  • NA · Sodium ion · metal · chains B

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11550.510.7929empty

Interfaces

1 interface between chains.

  • A–B · 457 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 5FU3 · The complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in… · the same entry in another collection · chain A against A, TM-score 1.00

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