MolNFT v1 · #147442 · protein
Crystal structure of ROCK2 with a pyridinylbenzamide based inhibitor
6ED6: “Crystal structure of ROCK2 with a pyridinylbenzamide based inhibitor”. X-ray diffraction, 1 ligand (J0P). MolNFT v1 #147442 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6ED6
- Type
- protein
- Length
- 742 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- O75116
- Ligands
- J0P
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 378 | — | O75116 |
| B | — | protein | 364 | — | O75116 |
Ligands and binding sites
- J0P · N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6ED6 · Crystal structure of Rock2 with a pyridinylbenzamide based inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- O75116 · AlphaFold monomer V2.0 prediction for rho-associated protein kinase 2 (O75116) · 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 O75116
- Elsewhere: RCSB PDB 6ED6 · PDBe 6ED6 · UniProt O75116
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