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MolNFT v1 · #187944 · protein

KRAS G12D (gppcp) with mrtx-1133

7T47: “KRAS G12D (gppcp) with mrtx-1133”. X-ray diffraction, 4 ligands (6IC, GCP, GDP). MolNFT v1 #187944 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7T47
Type
protein
Length
169 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P01116
Ligands
6IC, GCP, GDP, MG

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein169—P01116

Ligands and binding sites

  • 6IC · 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol · ligand · chains A
  • GCP · Phosphomethylphosphonic acid guanylate ester · ligand · chains A
  • GDP · Guanosine-5'-diphosphate · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • GOL · Glycerol · additive · chains A
  • ACT · Acetate ion · additive · chains A

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

Compared structures

  • 7T47 · KRAS G12D (GppCp) with MRTX-1133 · the same entry in another collection · chain A against A, TM-score 1.00

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