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MolNFT v1 · #167363 · protein

Crystal structure of mouse RABL3 in complex with gtpgammas

6VII · Rab-like protein 3: “Crystal structure of mouse RABL3 in complex with gtpgammas”. X-ray diffraction, 2 ligands (GSP, MG), 4 pockets (best druggability 0.71). MolNFT v1 #167363 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6VII
Type
protein
Length
373 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rab-like protein 3
UniProt
Q9D4V7
Ligands
GSP, MG
Pockets
4 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BRab-like protein 3protein19040% helix, 24% strandQ9D4V7
ARab-like protein 3protein18339% helix, 23% strandQ9D4V7

Ligands and binding sites

  • GSP · 5'-guanosine-diphosphate-monothiophosphate · ligand · 2 copies · chains B, A
  • MG · Magnesium ion · metal · 2 copies · chains B, A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15360.710.8058empty
21100.430.7825MG, GSP
31180.420.7624MG, GSP
4790.410.7920empty

Interfaces

1 interface between chains.

  • B–A · 926 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 6VII · Crystal structure of mouse RABL3 in complex with GTPgammaS · the same entry in another collection · chain B against B, TM-score 1.00
  • Q9D4V7 · AlphaFold monomer V2.0 prediction for rab-like protein 3 (Q9D4V7) · a predicted model of the same protein · chain B against A, TM-score 0.98

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