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Crystal structure of ROCK2 with a pyridinylbenzamide based inhibitor

Analyse Crystal structure of ROCK2 with a pyridinylbenzamide based inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein378—O75116
B—protein364—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

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