Research workbench
Crystal structure of CALCIUM/CALMODULIN-dependent protein kinase
Analyse Crystal structure of CALCIUM/CALMODULIN-dependent protein kinase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1HKX
- Type
- protein
- Length
- 1,921 residues
- Chains
- 14
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CALCIUM/CALMODULIN-dependent protein kinase type II alpha chain
- EC
- 2.7.1.123
- UniProt
- P11798
- Ligands
- TBR, CL
- Pockets
- 20 · best druggability 0.73
Structure
x-ray diffraction · 7 distinct chains · 27% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CALCIUM/CALMODULIN-dependent protein kinase type II alpha chain (EC 2.7.1.123) | protein | 140 | 31% helix, 41% strand | P11798 |
| B, G, N | CALCIUM/CALMODULIN-dependent protein kinase type II alpha chain (EC 2.7.1.123) | protein | 135 | 25% helix, 43% strand | P11798 |
| C, F, J, M | CALCIUM/CALMODULIN-dependent protein kinase type II alpha chain (EC 2.7.1.123) | protein | 138 | 22% helix, 42% strand | P11798 |
| D | CALCIUM/CALMODULIN-dependent protein kinase type II alpha chain (EC 2.7.1.123) | protein | 137 | 28% helix, 42% strand | P11798 |
| E | CALCIUM/CALMODULIN-dependent protein kinase type II alpha chain (EC 2.7.1.123) | protein | 143 | 27% helix, 41% strand | P11798 |
| H | CALCIUM/CALMODULIN-dependent protein kinase type II alpha chain (EC 2.7.1.123) | protein | 142 | 32% helix, 41% strand | P11798 |
| I, K, L | CALCIUM/CALMODULIN-dependent protein kinase type II alpha chain (EC 2.7.1.123) | protein | 134 | 25% helix, 43% strand | P11798 |
Ligands and binding sites
- TBR · Hexatantalum dodecabromide · ligand · chains A, B
- CL · Chloride ion · ion · 14 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N
- DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 257 | 0.73 | 0.87 | 34 | CL |
| 2 | 308 | 0.70 | 0.84 | 33 | CL |
| 3 | 281 | 0.68 | 0.83 | 32 | CL |
| 4 | 57 | 0.68 | 0.96 | 15 | CL |
| 5 | 339 | 0.67 | 0.81 | 31 | CL |
Interfaces
35 interfaces between chains.
- K–L · 1178 Ų buried · 14 hydrogen bonds · protein-protein
- I–J · 1127 Ų buried · 16 hydrogen bonds · protein-protein
- G–H · 1103 Ų buried · 15 hydrogen bonds · protein-protein
- M–N · 1103 Ų buried · 12 hydrogen bonds · protein-protein
- E–F · 1092 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 1HKX · Crystal structure of calcium/calmodulin-dependent protein kinase · the same entry in another collection · chain N against N, 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 P11798
- Elsewhere: RCSB PDB 1HKX · PDBe 1HKX · UniProt P11798
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