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MolNFT v1 · #139812 · protein

Crystal structure of RABA1A in complex with GDP

5XR4 · RAS-related protein RABA1A: “Crystal structure of RABA1A in complex with GDP”. X-ray diffraction, 3 ligands (GDP, MG, SO4), 2 pockets (best druggability 0.58). MolNFT v1 #139812 on GenesisL1: 3D structure, binding sites and pockets…

PDB
5XR4
Type
protein
Length
326 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RAS-related protein RABA1A
UniProt
P28185
Ligands
GDP, MG, SO4
Pockets
2 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARAS-related protein RABA1Aprotein15536% helix, 29% strandP28185
BRAS-related protein RABA1Aprotein17133% helix, 26% strandP28185

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12730.580.7851empty
21480.440.7627MG, SO4

Interfaces

1 interface between chains.

  • A–B · 703 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 5XR4 · Crystal structure of RabA1a in complex with GDP · the same entry in another collection · chain A against A, TM-score 1.00
  • P28185 · AlphaFold monomer V2.0 prediction for RAS-related protein RABA1A (P28185) · a predicted model of the same protein · chain A against A, TM-score 0.98

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