Research workbench
Crystal structure of human CALCIUM/CALMODULIN-dependent protein kinase I 1-293 in complex with ATP
Analyse Crystal structure of human CALCIUM/CALMODULIN-dependent protein kinase I 1-293… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FG7
- Type
- protein
- Length
- 250 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CALCIUM/CALMODULIN-dependent protein kinase type 1
- EC
- 2.7.11.17
- UniProt
- Q14012
- Ligands
- ATP
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CALCIUM/CALMODULIN-dependent protein kinase type 1 (EC 2.7.11.17) | protein | 250 | 35% helix, 20% strand | Q14012 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 282 | 0.65 | 0.81 | 33 | ATP |
| 2 | 65 | 0.37 | 0.78 | 13 | empty |
| 3 | 63 | 0.32 | 0.75 | 20 | empty |
Compared structures
- 4FG7 · Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-293 in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- Q14012 · AlphaFold monomer V2.0 prediction for CALCIUM/CALMODULIN-dependent protein kinase type 1… · a predicted model of the same protein · chain A against A, TM-score 0.93
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 Q14012
- Elsewhere: RCSB PDB 4FG7 · PDBe 4FG7 · UniProt Q14012
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