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Mannosyl-3-phosphoglycerate synthase from Rubrobacter xylanophilus

Analyse Mannosyl-3-phosphoglycerate synthase from Rubrobacter xylanophilus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3F1Y
Type
protein
Length
636 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.2
Source
Rubrobacter xylanophilus; synthetic construct
Molecule
Mannosyl-3-phosphoglycerate synthase
EC
2.4.1.217
UniProt
B7SY86
Ligands
MG, CL
Pockets
4 · best druggability 0.74

Structure

x-ray diffraction · resolution 2.2 · 2 distinct chains · 42% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMannosyl-3-phosphoglycerate synthase (EC 2.4.1.217)protein31842% helix, 20% strandB7SY86
CMannosyl-3-phosphoglycerate synthase (EC 2.4.1.217)protein31843% helix, 20% strandB7SY86

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A, C
  • CL · Chloride ion · ion · 4 copies · chains A, C

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16260.740.8161empty
26470.730.8060empty
3840.560.8620empty
4620.400.8017MG

Interfaces

1 interface between chains.

  • A–C · 3158 Ų buried · 37 hydrogen bonds · protein-protein

Compared structures

  • 3F1Y · Mannosyl-3-phosphoglycerate synthase from rubrobacter xylanophilus · the same entry in another collection · chain A against A, TM-score 1.00

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