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Crystal structure of human RAB5A A30P mutant complex with GDP and aluminum fluoride

Analyse Crystal structure of human RAB5A A30P mutant complex with GDP and aluminum… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1N6K
Type
protein
Length
167 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RAS-related protein rab-5A
UniProt
P20339
Ligands
GDP, AF3, MG
Pockets
1 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARAS-related protein rab-5Aprotein16738% helix, 29% strandP20339

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · chains A
  • AF3 · Aluminum fluoride · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • BME · Beta-mercaptoethanol · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11260.500.8027MG, GDP, AF3

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

  • 1N6K · Crystal Structure of Human Rab5a A30P mutant complex with GDP and aluminum fluoride · the same entry in another collection · chain A against A, TM-score 1.00
  • P20339 · AlphaFold monomer V2.0 prediction for RAS-related protein rab-5A (P20339) · a predicted model of the same protein · chain A against A, TM-score 0.99

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