Research workbench
Crystal structure of CK2ALPHA with compound 7 bound
Analyse Crystal structure of CK2ALPHA with compound 7 bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5MMF
- Type
- protein
- Length
- 651 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Casein kinase II subunit alpha
- EC
- 2.7.11.1
- UniProt
- P68400
- Ligands
- JMB
- Pockets
- 9 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 326 | 39% helix, 16% strand | P68400 |
| B | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 325 | 39% helix, 16% strand | P68400 |
Ligands and binding sites
- JMB · (3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium · ligand · chains A
- ACT · Acetate ion · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 573 | 0.77 | 0.83 | 62 | JMB, ACT |
| 2 | 98 | 0.70 | 0.93 | 20 | empty |
| 3 | 501 | 0.70 | 0.80 | 47 | empty |
| 4 | 499 | 0.64 | 0.77 | 44 | empty |
| 5 | 188 | 0.44 | 0.74 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 515 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
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 P68400
- Elsewhere: RCSB PDB 5MMF · PDBe 5MMF · UniProt P68400
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