MolNFT v1 · #184263 · protein
Crystal structure of KRASG13C in complex with nucleotide-based covalent inhibitor edagdp
7OK3 · Isoform 2B of GTPase KRAS: “Crystal structure of KRASG13C in complex with nucleotide-based covalent inhibitor edagdp”. X-ray diffraction, 1 ligand (VJ8), 1 pocket (best druggability 0.46). MolNFT v1 #184263 on GenesisL1: 3D…
- PDB
- 7OK3
- Type
- protein
- Length
- 170 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoform 2B of GTPase KRAS
- EC
- 3.6.5.2
- Ligands
- VJ8
- Pockets
- 1 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isoform 2B of GTPase KRAS (EC 3.6.5.2) | protein | 170 | 40% helix, 23% strand | — |
Ligands and binding sites
- VJ8 · edaGDP · ligand · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 140 | 0.46 | 0.77 | 32 | VJ8 |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 7OK3 · Crystal Structure of KRasG13C in Complex with Nucleotide-based Covalent Inhibitor edaGDP · 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 7OK3 · PDBe 7OK3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.