MolNFT v1 · #98451 · protein
Crystal structure of H-RAS G12C, gmppnp-bound
4L9W · GTPase HRAS: “Crystal structure of H-RAS G12C, gmppnp-bound”. X-ray diffraction, 3 ligands (GNP, CA, MG), 1 pocket (best druggability 0.55). MolNFT v1 #98451 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4L9W
- Type
- protein
- Length
- 166 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTPase HRAS
- EC
- 3.6.5.2
- UniProt
- P01112
- Ligands
- GNP, CA, MG
- Pockets
- 1 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GTPase HRAS (EC 3.6.5.2) | protein | 166 | 39% helix, 25% strand | P01112 |
Ligands and binding sites
- GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
- CA · Calcium ion · metal · 2 copies · 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 | 142 | 0.55 | 0.82 | 29 | GNP, MG |
Compared structures
- 4L9W · Crystal Structure of H-Ras G12C, GMPPNP-bound · 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 4L9W · PDBe 4L9W · UniProt P01112
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