MolNFT v1 · #20804 · protein
Structure of CK2 beta subunit crystallized in the presence of a P21WAF1 peptide
1RQF · Casein kinase II beta chain: “Structure of CK2 beta subunit crystallized in the presence of a P21WAF1 peptide”. X-ray diffraction, 2 ligands (UNK, ZN), 13 pockets (best druggability 0.85). MolNFT v1 #20804 on GenesisL1: 3D…
- PDB
- 1RQF
- Type
- protein
- Length
- 1,371 residues
- Chains
- 14
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Casein kinase II beta chain; Disordered segment of cyclin-dependent kinase inhibitor 1
- EC
- 2.7.1.37
- UniProt
- P28021
- Ligands
- UNK, ZN
- Pockets
- 13 · best druggability 0.85
Structure
x-ray diffraction · 10 distinct chains · 46% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II beta chain (EC 2.7.1.37) | protein | 172 | 45% helix, 8% strand | P28021 |
| B | Casein kinase II beta chain (EC 2.7.1.37) | protein | 165 | 47% helix, 9% strand | P28021 |
| D | Casein kinase II beta chain (EC 2.7.1.37) | protein | 165 | 47% helix, 9% strand | P28021 |
| E, J | Casein kinase II beta chain (EC 2.7.1.37) | protein | 173 | 46% helix, 8% strand | P28021 |
| G | Casein kinase II beta chain (EC 2.7.1.37) | protein | 165 | 48% helix, 8% strand | P28021 |
| H | Casein kinase II beta chain (EC 2.7.1.37) | protein | 163 | 48% helix, 9% strand | P28021 |
| K | Casein kinase II beta chain (EC 2.7.1.37) | protein | 169 | 46% helix, 8% strand | P28021 |
| M, N, T | Disordered segment of cyclin-dependent kinase inhibitor 1 | protein | 4 | 0% helix, 0% strand | — |
| O | Disordered segment of cyclin-dependent kinase inhibitor 1 | protein | 8 | 0% helix, 0% strand | — |
| P, S | Disordered segment of cyclin-dependent kinase inhibitor 1 | protein | 3 | 0% helix, 0% strand | — |
Ligands and binding sites
- UNK · Unknown · ligand · 2 copies · chains E, H
- ZN · Zinc ion · metal · 8 copies · chains A, B, D, E, G, H, J, K
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 944 | 0.85 | 0.86 | 82 | empty |
| 2 | 1053 | 0.77 | 0.79 | 127 | empty |
| 3 | 327 | 0.72 | 0.85 | 61 | empty |
| 4 | 289 | 0.65 | 0.81 | 45 | empty |
| 5 | 383 | 0.64 | 0.79 | 59 | empty |
Interfaces
30 interfaces between chains.
- A–B · 577 Ų buried · 9 hydrogen bonds · protein-protein
- D–E · 576 Ų buried · 8 hydrogen bonds · protein-protein
- G–H · 568 Ų buried · 12 hydrogen bonds · protein-protein
- J–K · 566 Ų buried · 10 hydrogen bonds · protein-protein
- E–G · 556 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 1RQF · Structure of CK2 beta subunit crystallized in the presence of a p21WAF1 peptide · the same entry in another collection · chain S against S, 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 P28021
- Elsewhere: RCSB PDB 1RQF · PDBe 1RQF · UniProt P28021
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