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H-RAS soaked in 20% S,R,S-bisfuranol: 1 of 10 in mscs set

Analyse H-RAS soaked in 20% S,R,S-bisfuranol: 1 of 10 in mscs set in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3RSO
Type
protein
Length
166 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GTPase HRAS
UniProt
P01112
Ligands
RSG, GNP, CA, MG
Pockets
1 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGTPase HRASprotein16635% helix, 27% strandP01112

Ligands and binding sites

  • RSG · (3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol · ligand · 2 copies · chains A
  • GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
  • CA · Calcium ion · metal · 2 copies · chains A
  • MG · Magnesium ion · metal · 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
11560.560.8131GNP, MG

Compared structures

  • 3RSO · H-Ras soaked in 20% S,R,S-bisfuranol: 1 of 10 in MSCS set · the same entry in another collection · chain A against A, TM-score 1.00

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