MolNFT v1 · #51767 · protein
Crystal structure of HRAS(G12V) - anti-RAS fv (disulfide free mutant) complex
2VH5 · Anti-RAS fv heavy chain: “Crystal structure of HRAS(G12V) - anti-RAS fv (disulfide free mutant) complex”. X-ray diffraction, 3 ligands (GTP, ZN, MG), 3 pockets (best druggability 0.58). MolNFT v1 #51767 on GenesisL1: 3D structure…
- PDB
- 2VH5
- Type
- protein
- Length
- 384 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anti-RAS fv heavy chain; Anti-RAS fv light chain; GTPase HRAS
- UniProt
- P01112
- Ligands
- GTP, ZN, MG
- Pockets
- 3 · best druggability 0.58
Structure
x-ray diffraction · 3 distinct chains · 20% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Anti-RAS fv heavy chain | protein | 114 | 8% helix, 50% strand | — |
| L | Anti-RAS fv light chain | protein | 104 | 0% helix, 46% strand | — |
| R | GTPase HRAS | protein | 166 | 40% helix, 26% strand | P01112 |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · chains R
- ZN · Zinc ion · metal · 3 copies · chains H, R
- MG · Magnesium ion · metal · chains H, R
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 138 | 0.58 | 0.83 | 28 | GTP, MG |
| 2 | 112 | 0.38 | 0.74 | 25 | empty |
| 3 | 62 | 0.28 | 0.73 | 18 | empty |
Interfaces
3 interfaces between chains.
- H–R · 780 Ų buried · 14 hydrogen bonds · protein-protein
- H–L · 761 Ų buried · 6 hydrogen bonds · protein-protein
- L–R · 198 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2VH5 · CRYSTAL STRUCTURE OF HRAS(G12V) - ANTI-RAS FV (disulfide free mutant) COMPLEX · the same entry in another collection · chain H against H, 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 2VH5 · PDBe 2VH5 · UniProt P01112
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