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MolNFT v1 · #166537 · protein

Identification of the clinical development candidate MRTX849, a covalent KRASG12C inhibitor for the treatment of cancer

6USZ: “Identification of the clinical development candidate MRTX849, a covalent KRASG12C inhibitor for the treatment…”. X-ray diffraction, 3 ligands (GDP, QH4, MG). MolNFT v1 #166537 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6USZ
Type
protein
Length
169 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P01116
Ligands
GDP, QH4, MG

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein169—P01116

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · chains A
  • QH4 · {(2S)-4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile · ligand · chains A
  • MG · Magnesium ion · metal · chains A

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

Compared structures

  • 6USZ · Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C… · the same entry in another collection · chain A against A, TM-score 1.00

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