MolNFT v1 · #99008 · protein
Crystal structure of the CBK1-MOB2 kinase-coactivator complex
4LQS · SERINE/THREONINE-protein kinase CBK1: “Crystal structure of the CBK1-MOB2 kinase-coactivator complex”. X-ray diffraction, 1 ligand (ANP), 7 pockets (best druggability 0.83). MolNFT v1 #99008 on GenesisL1: 3D structure, binding sites…
- PDB
- 4LQS
- Type
- protein
- Length
- 528 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase CBK1; CBK1 kinase activator protein MOB2
- EC
- 2.7.11.1
- UniProt
- P53894, P43563
- Ligands
- ANP
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase CBK1 (EC 2.7.11.1) | protein | 372 | 23% helix, 10% strand | P53894 |
| B | CBK1 kinase activator protein MOB2 | protein | 156 | 52% helix, 1% strand | P43563 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1018 | 0.83 | 0.84 | 90 | ANP |
| 2 | 1149 | 0.76 | 0.78 | 122 | empty |
| 3 | 103 | 0.58 | 0.85 | 21 | empty |
| 4 | 91 | 0.54 | 0.84 | 25 | empty |
| 5 | 90 | 0.48 | 0.82 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1186 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4LQS · Crystal structure of the Cbk1-Mob2 kinase-coactivator complex · the same entry in another collection · chain A against A, TM-score 1.00
- P43563 · AlphaFold monomer V2.0 prediction for CBK1 kinase activator protein MOB2 (P43563) · a predicted model of the same protein · chain B against A, TM-score 0.93
- P53894 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase CBK1 (P53894) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 P53894
- Every structure of UniProt P43563
- Elsewhere: RCSB PDB 4LQS · PDBe 4LQS · UniProt P53894 · UniProt P43563
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