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The structure of a family 51 arabinofuranosidase, ARAF51, from clostridium thermocellum in complex with 1,5-alpha-L-arabinotriose.

Analyse The structure of a family 51 arabinofuranosidase, ARAF51, from clostridium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2C7F
Type
protein
Length
2,975 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alpha-L-arabinofuranosidase
EC
3.2.1.55
UniProt
Q4CJG5
Ligands
AHR
Pockets
20 · best druggability 0.78

Structure

x-ray diffraction · 6 distinct chains · 29% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAlpha-L-arabinofuranosidase (EC 3.2.1.55)protein49628% helix, 25% strandQ4CJG5
BAlpha-L-arabinofuranosidase (EC 3.2.1.55)protein49728% helix, 24% strandQ4CJG5
CAlpha-L-arabinofuranosidase (EC 3.2.1.55)protein49629% helix, 25% strandQ4CJG5
DAlpha-L-arabinofuranosidase (EC 3.2.1.55)protein49929% helix, 25% strandQ4CJG5
EAlpha-L-arabinofuranosidase (EC 3.2.1.55)protein49129% helix, 24% strandQ4CJG5
FAlpha-L-arabinofuranosidase (EC 3.2.1.55)protein49629% helix, 24% strandQ4CJG5

Ligands and binding sites

  • AHR · alpha-L-arabinofuranose · sugar · 16 copies · chains A, B, C, D, E, F
  • EDO · 1,2-ethanediol · additive · 9 copies · chains A, F, B, D, C, E

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

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110770.780.8052empty
210630.770.7950empty
39020.680.7477empty
45440.650.7661empty
56340.610.7363empty

Interfaces

9 interfaces between chains.

  • A–D · 894 Ų buried · 11 hydrogen bonds · protein-protein
  • B–C · 852 Ų buried · 10 hydrogen bonds · protein-protein
  • C–E · 774 Ų buried · 12 hydrogen bonds · protein-protein
  • B–F · 772 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 769 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 2C7F · The Structure of a family 51 arabinofuranosidase, Araf51, from Clostridium thermocellum… · the same entry in another collection · chain A against A, TM-score 1.00

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