Research workbench
Pim-1 kinase in complex with Ruthenium-based inhibitor
Analyse Pim-1 kinase in complex with Ruthenium-based inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3WE8
- Type
- protein
- Length
- 273 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.954
- Source
- Homo sapiens
- Molecule
- Serine/threonine-protein kinase pim-1
- EC
- 2.7.11.1
- UniProt
- P11309
- Ligands
- RUI, SO4
- Pockets
- 1 · best druggability 0.66
Structure
x-ray diffraction · resolution 1.954 · 1 distinct chain · 39% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serine/threonine-protein kinase pim-1 (EC 2.7.11.1) | protein | 273 | 39% helix, 23% strand | P11309 |
Ligands and binding sites
- RUI · Cyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~C~10~,N~1~)ruthenium · ligand · chains A
- SO4 · Sulfate ion · ion · 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 | 327 | 0.66 | 0.81 | 45 | RUI |
Compared structures
- 3WE8 · Pim-1 kinase in complex with ruthenium-based inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- P11309 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase pim-1 (P11309) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 P11309
- Elsewhere: RCSB PDB 3WE8 · PDBe 3WE8 · UniProt P11309
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