MolNFT v1 · #4031 · protein
Crystal structure of a binary complex of protein kinase CK2 (alpha-subunit) and mg-amppnp
1DAW: “Crystal structure of a binary complex of protein kinase CK2 (alpha-subunit) and mg-amppnp”. X-ray diffraction, 2 ligands (ANP, MG), 3 pockets (best druggability 0.69). MolNFT v1 #4031 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1DAW
- Type
- protein
- Length
- 327 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein kinase CK2
- EC
- 2.7.1.37
- UniProt
- P28523
- Ligands
- ANP, MG
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein kinase CK2 (EC 2.7.1.37) | protein | 327 | 43% helix, 15% strand | P28523 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 327 | 0.69 | 0.82 | 44 | MG, ANP |
| 2 | 51 | 0.63 | 0.94 | 18 | empty |
| 3 | 58 | 0.46 | 0.84 | 18 | empty |
Compared structures
- 1DAW · Crystal structure of a binary complex of protein kinase CK2 (alpha-subunit) and mg-amppnp · the same entry in another collection · chain A against A, TM-score 1.00
- P28523 · AlphaFold monomer V2.0 prediction for casein kinase II subunit alpha (P28523) · a predicted model of the same protein · chain A 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 P28523
- Elsewhere: RCSB PDB 1DAW · PDBe 1DAW · UniProt P28523
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