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MolNFT v1 · #120005 · protein

Crystal structure of a glycoside hydrolase in complex with cellobiose

5GM9 · Glycoside hydrolase family 45 protein: “Crystal structure of a glycoside hydrolase in complex with cellobiose”. X-ray diffraction, 2 ligands (BGC, GLC), 1 pocket (best druggability 0.58). MolNFT v1 #120005 on GenesisL1: 3D…

PDB
5GM9
Type
protein
Length
213 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycoside hydrolase family 45 protein
UniProt
G2QVH7
Ligands
BGC, GLC
Pockets
1 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlycoside hydrolase family 45 proteinprotein21321% helix, 27% strandG2QVH7

Ligands and binding sites

  • BGC · beta-D-glucopyranose · sugar · 3 copies · chains A
  • GLC · alpha-D-glucopyranose · sugar · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11930.580.8139GLC, BGC

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

  • 5GM9 · Crystal structure of a glycoside hydrolase in complex with cellobiose · the same entry in another collection · chain A against A, TM-score 1.00

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