MolNFT v1 · #23616 · protein
Crystal structure of the TAO2 kinase domain: activation and specifity of a STE20P MAP3K
1U5R · SERINE/THREONINE protein kinase TAO2: “Crystal structure of the TAO2 kinase domain: activation and specifity of a STE20P MAP3K”. X-ray diffraction, 3 ligands (ATP, MG, CA), 4 pockets (best druggability 0.75). MolNFT v1 #23616 on…
- PDB
- 1U5R
- Type
- protein
- Length
- 618 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE protein kinase TAO2
- UniProt
- Q9JLS3
- Ligands
- ATP, MG, CA
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | SERINE/THREONINE protein kinase TAO2 | protein | 309 | 43% helix, 17% strand | Q9JLS3 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1115 | 0.75 | 0.77 | 103 | empty |
| 2 | 334 | 0.68 | 0.82 | 41 | MG, ATP |
| 3 | 325 | 0.66 | 0.81 | 50 | MG, ATP |
| 4 | 78 | 0.32 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 726 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 1U5R · Crystal Structure of the TAO2 Kinase Domain: Activation and Specifity of a Ste20p MAP3K · the same entry in another collection · chain A against A, TM-score 1.00
- Q9JLS3 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase TAO2 (Q9JLS3) · 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 Q9JLS3
- Elsewhere: RCSB PDB 1U5R · PDBe 1U5R · UniProt Q9JLS3
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