MolNFT v1 · #186872 · protein
Crystal structure of KRAS G12D with compound 36 (4-[(1R,5S)-3,8- DIAZABICYCLO[3.2.1]OCTAN-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)- 8-fluoro-2-{[(4S,7AS)-tetrahydro-1H-pyrrolizin-7A(5H)- YL]METHOXY}PYRIDO[4,3-D]PYRIMIDINE) bound
7RT5: “Crystal structure of KRAS G12D with compound 36 (4-[(1R,5S)-3,8…”. X-ray diffraction, 3 ligands (GDP, 7OE, MG). MolNFT v1 #186872 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7RT5
- Type
- protein
- Length
- 169 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Ligands
- GDP, 7OE, MG
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 169 | — | — |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · chains A
- 7OE · 4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4S, 7AS)-tetrahydro-1H-pyrrolizin-7A(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine · 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
- 7RT5 · Crystal structure of KRAS G12D with compound 36… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 7RT5 · PDBe 7RT5
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