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Crystal structure of NRAS (C118S) in complex with GDP and compound 18

Analyse Crystal structure of NRAS (C118S) in complex with GDP and compound 18 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6ZIR
Type
protein
Length
163 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GTPase NRAS
UniProt
P01111
Ligands
EZZ, GDP, MG
Pockets
1 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGTPase NRASprotein16338% helix, 26% strandP01111

Ligands and binding sites

  • EZZ · (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one · ligand · 2 copies · chains A
  • GDP · Guanosine-5'-diphosphate · ligand · chains A
  • MG · Magnesium ion · metal · 2 copies · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11260.430.7630MG, GDP

Compared structures

  • 6ZIR · Crystal structure of NRAS (C118S) in complex with GDP and compound 18 · the same entry in another collection · chain A against A, TM-score 1.00
  • P01111 · AlphaFold monomer V2.0 prediction for GTPase NRAS (P01111) · a predicted model of the same protein · chain A against A, TM-score 0.98

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