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Drosophila melanogaster Rab2 bound to GMPPNP

Analyse Drosophila melanogaster Rab2 bound to GMPPNP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4RKE
Type
protein
Length
176 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.0006
Source
Drosophila melanogaster
Molecule
GH01619p
UniProt
O18333
Ligands
GNP, MG
Pockets
1 · best druggability 0.55

Structure

x-ray diffraction · resolution 2.0006 · 1 distinct chain · 33% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGH01619pprotein17633% helix, 27% strandO18333

Ligands and binding sites

  • GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • 1PE · Pentaethylene glycol · additive · 2 copies · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11700.550.8035GNP, MG

Compared structures

  • 4RKE · Drosophila melanogaster RAB2 bound to gmppnp · the same entry in another collection · chain A against A, TM-score 1.00

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