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Crystal structure of ruminococcus albus beta-(1,4)- mannooligosaccharide phosphorylase (RAMP2) in complexes with phosphate

Analyse Crystal structure of ruminococcus albus beta-(1,4)- mannooligosaccharide… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5AYD
Type
protein
Length
2,010 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-1,4-mannooligosaccharide phosphorylase
EC
2.4.1.319
UniProt
E6UBR9
Ligands
PO4
Pockets
20 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FBeta-1,4-mannooligosaccharide phosphorylase (EC 2.4.1.319)protein3356% helix, 49% strandE6UBR9

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 6 copies · chains A, B, C, D, E, F

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

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14630.740.8345PO4
24410.740.8342PO4
34380.740.8338PO4
44530.740.8340PO4
54410.740.8442PO4

Interfaces

9 interfaces between chains.

  • A–D · 1400 Ų buried · 18 hydrogen bonds · protein-protein
  • C–F · 1393 Ų buried · 20 hydrogen bonds · protein-protein
  • B–E · 1388 Ų buried · 16 hydrogen bonds · protein-protein
  • D–E · 976 Ų buried · 13 hydrogen bonds · protein-protein
  • B–C · 973 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 5AYD · Crystal structure of Ruminococcus albus beta-(1,4)-mannooligosaccharide phosphorylase… · the same entry in another collection · chain C against C, TM-score 1.00
  • E6UBR9 · AlphaFold monomer V2.0 prediction for beta-1,4-mannooligosaccharide phosphorylase (E6UBR9) · a predicted model of the same protein · chain A against A, TM-score 1.00

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