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Complex of RAS with cyclen

Analyse Complex of RAS with cyclen in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3L8Y
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
GNP, YCN, CA, MG, ZN
Pockets
1 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGTPase HRASprotein16634% helix, 27% strandP01112

Ligands and binding sites

  • GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
  • YCN · 1,4,7,10-tetraazacyclododecane · ligand · chains A
  • CA · Calcium ion · metal · 4 copies · chains A
  • MG · Magnesium ion · metal · chains A
  • ZN · Zinc 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
11430.550.8232GNP, MG

Compared structures

  • 3L8Y · Complex of Ras with cyclen · the same entry in another collection · chain A against A, TM-score 1.00

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