MolNFT v1 · #152762 · protein
Crystal structure of amppnp bound CK2 alpha from C. neoformans
6ISE · Casein kinase II subunit alpha: “Crystal structure of amppnp bound CK2 alpha from C. neoformans”. X-ray diffraction, 2 ligands (ANP, SO4), 6 pockets (best druggability 0.72). MolNFT v1 #152762 on GenesisL1: 3D structure, binding…
- PDB
- 6ISE
- Type
- protein
- Length
- 654 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Casein kinase II subunit alpha
- UniProt
- A0A226BA59
- Ligands
- ANP, SO4
- Pockets
- 6 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Casein kinase II subunit alpha | protein | 327 | 43% helix, 15% strand | A0A226BA59 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains B, A
- SO4 · Sulfate ion · ion · 4 copies · chains B, A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 499 | 0.72 | 0.81 | 52 | SO4, ANP |
| 2 | 446 | 0.71 | 0.81 | 54 | SO4, ANP |
| 3 | 60 | 0.44 | 0.82 | 14 | empty |
| 4 | 55 | 0.39 | 0.81 | 13 | empty |
| 5 | 122 | 0.37 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- B–A · 284 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6ISE · Crystal structure of AMPPNP bound CK2 alpha from C. neoformans · the same entry in another collection · chain B against B, 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 A0A226BA59
- Elsewhere: RCSB PDB 6ISE · PDBe 6ISE · UniProt A0A226BA59
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