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Crystal structure of human RAB5A A30R mutant complex with gppnhp

Analyse Crystal structure of human RAB5A A30R mutant complex with gppnhp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1N6N
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
GNP, MG
Pockets
1 · best druggability 0.54

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

  • GNP · Phosphoaminophosphonic acid-guanylate ester · 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
11450.540.8127MG, GNP

Modifications

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

Compared structures

  • 1N6N · Crystal Structure of Human Rab5a A30R mutant complex with GppNHp · 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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