MolNFT v1 · #171861 · protein
Crystal structure of HRAS-G12D in complex with gcp and compound 18
6ZJ0 · GTPase HRAS: “Crystal structure of HRAS-G12D in complex with gcp and compound 18”. X-ray diffraction, 3 ligands (GCP, EZZ, MG), 1 pocket (best druggability 0.57). MolNFT v1 #171861 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6ZJ0
- Type
- protein
- Length
- 162 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTPase HRAS
- UniProt
- P01112
- Ligands
- GCP, EZZ, MG
- Pockets
- 1 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GTPase HRAS | protein | 162 | 36% helix, 27% strand | P01112 |
Ligands and binding sites
- GCP · Phosphomethylphosphonic acid guanylate ester · ligand · chains A
- EZZ · (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · 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 | 180 | 0.57 | 0.81 | 31 | MG, GCP |
Compared structures
- 6ZJ0 · Crystal structure of HRAS-G12D in complex with gcp and compound 18 · 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 P01112
- Elsewhere: RCSB PDB 6ZJ0 · PDBe 6ZJ0 · UniProt P01112
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