MolNFT v1 · #12629 · protein
Crystal structure of a constitutively activated rhoa mutant (Q63L)
1KMQ · Transforming protein rhoa: “Crystal structure of a constitutively activated rhoa mutant (Q63L)”. X-ray diffraction, 2 ligands (GNP, MG), 1 pocket (best druggability 0.56). MolNFT v1 #12629 on GenesisL1: 3D structure, binding sites…
- PDB
- 1KMQ
- Type
- protein
- Length
- 177 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transforming protein rhoa
- UniProt
- P61586
- Ligands
- GNP, MG
- Pockets
- 1 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transforming protein rhoa | protein | 177 | 40% helix, 25% strand | P61586 |
Ligands and binding sites
- GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- DIO · 1,4-diethylene dioxide · additive · 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 | 145 | 0.56 | 0.82 | 30 | MG, GNP |
Compared structures
- 1KMQ · Crystal Structure of a Constitutively Activated RhoA Mutant (Q63L) · the same entry in another collection · chain A against A, TM-score 1.00
- P61586 · AlphaFold monomer V2.0 prediction for transforming protein rhoa (P61586) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P61586
- Elsewhere: RCSB PDB 1KMQ · PDBe 1KMQ · UniProt P61586
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