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MolNFT v1 · #39988 · protein

Crystal structure of human RAC3 grown in the presence of GPP(NH)P.

2IC5 · RAS-related C3 botulinum toxin substrate 3: “Crystal structure of human RAC3 grown in the presence of GPP(NH)P.”. X-ray diffraction, 4 ligands (GNP, GDP, MG), 1 pocket (best druggability 0.78). MolNFT v1 #39988 on GenesisL1: 3D…

PDB
2IC5
Type
protein
Length
355 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RAS-related C3 botulinum toxin substrate 3
UniProt
P60763
Ligands
GNP, GDP, MG, CL
Pockets
1 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARAS-related C3 botulinum toxin substrate 3protein17739% helix, 24% strandP60763
BRAS-related C3 botulinum toxin substrate 3protein17840% helix, 24% strandP60763

Ligands and binding sites

  • GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A, B
  • GDP · Guanosine-5'-diphosphate · ligand · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B
  • CL · Chloride ion · ion · 2 copies · chains A, B
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · 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
110180.780.8083MG, GNP, CL, GDP

Interfaces

1 interface between chains.

  • A–B · 797 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 2IC5 · Crystal structure of human RAC3 grown in the presence of Gpp(NH)p. · the same entry in another collection · chain A against A, TM-score 1.00
  • P60763 · AlphaFold monomer V2.0 prediction for RAS-related C3 botulinum toxin substrate 3 (P60763) · a predicted model of the same protein · chain A against A, TM-score 0.97

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