MolNFT v1 · #135210 · protein
Z. mays CK2 kinase alpha subunit in complex with the ATP-competitive inhibitor 5,6-dibromobenzotriazole
5TS8 · Protein kinase CK2 catalytic subunit CK2 alpha-3: “Z. mays CK2 kinase alpha subunit in complex with the ATP-competitive inhibitor 5,6-dibromobenzotriazole”. X-ray diffraction, 1 ligand (7M0), 3 pockets (best druggability 0.67).…
- PDB
- 5TS8
- Type
- protein
- Length
- 332 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein kinase CK2 catalytic subunit CK2 alpha-3
- UniProt
- Q9FQF5
- Ligands
- 7M0
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein kinase CK2 catalytic subunit CK2 alpha-3 | protein | 332 | 45% helix, 15% strand | Q9FQF5 |
Ligands and binding sites
- 7M0 · 5,6-dibromobenzotriazole · ligand · chains A
- TLA · L(+)-tartaric acid · additive · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
- FMT · Formic acid · additive · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
- ACT · Acetate ion · additive · chains A
- BME · Beta-mercaptoethanol · additive · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 377 | 0.67 | 0.80 | 36 | 7M0, TLA |
| 2 | 77 | 0.46 | 0.81 | 23 | empty |
| 3 | 57 | 0.30 | 0.75 | 14 | empty |
Compared structures
- 5TS8 · Z. mays CK2 kinase alpha subunit in complex with the ATP-competitive inhibitor… · the same entry in another collection · 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 Q9FQF5
- Elsewhere: RCSB PDB 5TS8 · PDBe 5TS8 · UniProt Q9FQF5
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