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KRAS G12D in complex with compound 5B (7-(8-chloronaphthalen-1-yl)-8- fluoro-2-{[(2S)-1-methylpyrrolidin-2-YL]METHOXY}-4-(piperazin-1-yl) PYRIDO[4,3-D]PYRIMIDINE)

Analyse KRAS G12D in complex with compound 5B (7-(8-chloronaphthalen-1-yl)-8… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7RT4
Type
protein
Length
170 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Ligands
GDP, 7IZ, MG

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein170——

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · chains A
  • 7IZ · 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl) pyrido[4,3-d]pyrimidine · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • GOL · Glycerol · additive · chains A

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

Compared structures

  • 7RT4 · KRAS G12D in complex with Compound 5B (7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-met… · the same entry in another collection · chain A against A, TM-score 1.00

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