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MolNFT v1 · #107893 · protein

X-ray structure of glucuronoxylan-xylanohydrolase (XYN30A) from clostridium thermocellum at 1.25 a resolution

4UQD · Carbohydrate binding family 6: “X-ray structure of glucuronoxylan-xylanohydrolase (XYN30A) from clostridium thermocellum at 1.25 a resolution”. X-ray diffraction, 1 ligand (THR), 2 pockets (best druggability 0.31). MolNFT v1 #107893…

PDB
4UQD
Type
protein
Length
390 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Carbohydrate binding family 6
EC
3.2.1.8
UniProt
E6UTM3
Ligands
THR
Pockets
2 · best druggability 0.31

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACarbohydrate binding family 6 (EC 3.2.1.8)protein39027% helix, 33% strandE6UTM3

Ligands and binding sites

  • THR · Threonine · ligand · chains A
  • GOL · Glycerol · additive · 2 copies · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1520.310.7617empty
2520.260.7312GOL, TRS

Compared structures

  • 4UQD · X-ray structure of glucuronoxylan-xylanohydrolase (Xyn30A) from Clostridium thermocellum… · the same entry in another collection · chain A against A, TM-score 1.00

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