MolNFT v1 · #150085 · protein
Crystal structure of KRAS G12D (gppcp) in complex with 22
6GJ7 · GTPase KRAS: “Crystal structure of KRAS G12D (gppcp) in complex with 22”. X-ray diffraction, 3 ligands (GCP, F0B, MG), 1 pocket (best druggability 0.58). MolNFT v1 #150085 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6GJ7
- Type
- protein
- Length
- 166 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTPase KRAS
- UniProt
- P01116
- Ligands
- GCP, F0B, MG
- Pockets
- 1 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GTPase KRAS | protein | 166 | 39% helix, 25% strand | P01116 |
Ligands and binding sites
- GCP · Phosphomethylphosphonic acid guanylate ester · ligand · chains A
- F0B · (3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one · ligand · chains A
- MG · Magnesium ion · metal · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 176 | 0.58 | 0.82 | 30 | MG, GCP |
Compared structures
- 6GJ7 · Crystal structure of KRAS G12D (gppcp) in complex with 22 · 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
- Every structure of UniProt P01116
- Elsewhere: RCSB PDB 6GJ7 · PDBe 6GJ7 · UniProt P01116
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