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MolNFT v1 · #162258 · protein

Family 11 carbohydrate-binding module from clostridium thermocellum in complex with beta-1,3-1,4-mixed-linked tetrasaccharide

6R3M · Endoglucanase H: “Family 11 carbohydrate-binding module from clostridium thermocellum in complex with beta-1,3-1,4-mixed-linked…”. X-ray diffraction, 4 ligands (BGC, GLC, CA), 1 pocket (best druggability 0.29). MolNFT v1 #162258 on…

PDB
6R3M
Type
protein
Length
175 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endoglucanase H
EC
3.2.1.4
UniProt
P16218
Ligands
BGC, GLC, CA, PO4
Pockets
1 · best druggability 0.29

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndoglucanase H (EC 3.2.1.4)protein1752% helix, 50% strandP16218

Ligands and binding sites

  • BGC · beta-D-glucopyranose · sugar · 4 copies · chains A
  • GLC · alpha-D-glucopyranose · sugar · chains A
  • CA · Calcium ion · metal · 2 copies · chains A
  • PO4 · Phosphate ion · ion · 4 copies · chains A
  • ACT · Acetate ion · additive · 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
1520.290.7517BGC, GLC

Compared structures

  • 6R3M · Family 11 Carbohydrate-Binding Module from Clostridium thermocellum in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P16218 · AlphaFold monomer V2.0 prediction for endoglucanase H (P16218) · a predicted model of the same protein · chain A against A, TM-score 0.98

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