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MolNFT v1 · #149468 · protein

GH124 cellulase from ruminiclostridium thermocellum in complex with mn and cellotriose

6G1G · Glycosyl hydrolase: “GH124 cellulase from ruminiclostridium thermocellum in complex with mn and cellotriose”. X-ray diffraction, 2 ligands (BGC, MN), 1 pocket (best druggability 0.41). MolNFT v1 #149468 on GenesisL1: 3D structure…

PDB
6G1G
Type
protein
Length
211 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycosyl hydrolase
UniProt
A3DCJ4
Ligands
BGC, MN
Pockets
1 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlycosyl hydrolaseprotein21155% helix, 4% strandA3DCJ4

Ligands and binding sites

  • BGC · beta-D-glucopyranose · sugar · 6 copies · chains A
  • MN · Manganese (II) ion · metal · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11110.410.7625BGC

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

  • 6G1G · GH124 cellulase from Ruminiclostridium thermocellum in complex with Mn and cellotriose · the same entry in another collection · chain A against A, TM-score 1.00

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