MolNFT v1 · #50072 · protein
Crystal structure of catalytic subunit of protein kinase CK2
2R7I · Casein kinase II subunit alpha: “Crystal structure of catalytic subunit of protein kinase CK2”. X-ray diffraction, 1 ligand (SO4), 16 pockets (best druggability 0.75). MolNFT v1 #50072 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2R7I
- Type
- protein
- Length
- 1,287 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Casein kinase II subunit alpha
- EC
- 2.7.11.1
- UniProt
- P19139
- Ligands
- SO4
- Pockets
- 16 · best druggability 0.75
Structure
x-ray diffraction · 4 distinct chains · 39% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 322 | 39% helix, 14% strand | P19139 |
| B | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 322 | 39% helix, 14% strand | P19139 |
| C | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 321 | 40% helix, 15% strand | P19139 |
| D | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 322 | 39% helix, 15% strand | P19139 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 233 | 0.75 | 0.89 | 31 | empty |
| 2 | 435 | 0.66 | 0.79 | 36 | empty |
| 3 | 302 | 0.66 | 0.81 | 35 | empty |
| 4 | 310 | 0.65 | 0.81 | 35 | empty |
| 5 | 170 | 0.61 | 0.83 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–D · 823 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 106 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 105 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2R7I · Crystal structure of catalytic subunit of protein kinase CK2 · the same entry in another collection · chain D against D, TM-score 1.00
- P19139 · AlphaFold monomer V2.0 prediction for casein kinase II subunit alpha (P19139) · a predicted model of the same protein · chain C against A, TM-score 0.99
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 P19139
- Elsewhere: RCSB PDB 2R7I · PDBe 2R7I · UniProt P19139
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