MolNFT v1 · #3617 · protein
Crystal structure of human rhoa complexed with the effector domain of the protein kinase PKN/PRK1
1CXZ · Protein (his-tagged transforming protein RHOA(0-181)): “Crystal structure of human rhoa complexed with the effector domain of the protein kinase PKN/PRK1”. X-ray diffraction, 2 ligands (GSP, MG), 3 pockets (best druggability 0.68).…
- PDB
- 1CXZ
- Type
- protein
- Length
- 268 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (his-tagged transforming protein RHOA(0-181)); Protein (pkn)
- UniProt
- P61586, Q16512
- Ligands
- GSP, MG
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (his-tagged transforming protein RHOA(0-181)) | protein | 182 | 39% helix, 25% strand | P61586 |
| B | Protein (pkn) | protein | 86 | 78% helix, 0% strand | Q16512 |
Ligands and binding sites
- GSP · 5'-guanosine-diphosphate-monothiophosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 77 | 0.68 | 0.94 | 15 | empty |
| 2 | 165 | 0.56 | 0.81 | 33 | MG, GSP |
| 3 | 80 | 0.41 | 0.79 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 958 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 1CXZ · Crystal structure of human rhoa complexed with the effector domain of the protein kinase… · 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 0.98
- Q16512 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase N1 (Q16512) · a predicted model of the same protein · chain B against A, TM-score 0.90
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
- Every structure of UniProt Q16512
- Elsewhere: RCSB PDB 1CXZ · PDBe 1CXZ · UniProt P61586 · UniProt Q16512
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