Research workbench
Structural basis for induced-fit binding of rho-kinase to the inhibitor Y27632
Analyse Structural basis for induced-fit binding of rho-kinase to the inhibitor Y27632 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2H9V
- Type
- protein
- Length
- 383 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rho-associated protein kinase 2
- EC
- 2.7.11.1
- UniProt
- Q28021
- Ligands
- Y27
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rho-associated protein kinase 2 (EC 2.7.11.1) | protein | 383 | 41% helix, 15% strand | Q28021 |
Ligands and binding sites
- Y27 · (R)-trans-4-(1-aminoethyl)-N-(4-pyridyl) cyclohexanecarboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 416 | 0.68 | 0.80 | 44 | Y27 |
| 2 | 159 | 0.61 | 0.84 | 23 | empty |
| 3 | 76 | 0.32 | 0.74 | 16 | empty |
| 4 | 76 | 0.31 | 0.73 | 18 | empty |
Compared structures
- 2H9V · Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y27632 · the same entry in another collection · chain A against A, TM-score 1.00
- Q28021 · AlphaFold monomer V2.0 prediction for rho-associated protein kinase 2 (Q28021) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q28021
- Elsewhere: RCSB PDB 2H9V · PDBe 2H9V · UniProt Q28021
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.