MolNFT v1 · #15204 · protein
Structure of the complex of calmodulin with the target sequence of camki
1MXE: “Structure of the complex of calmodulin with the target sequence of camki”. X-ray diffraction, 1 ligand (CA), 4 pockets (best druggability 0.40). MolNFT v1 #15204 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1MXE
- Type
- protein
- Length
- 338 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin; Target sequence of rat calmodulin-dependent protein kinase I
- EC
- 2.7.1.123
- UniProt
- P62152, Q63450
- Ligands
- CA
- Pockets
- 4 · best druggability 0.40
Structure
x-ray diffraction · 2 distinct chains · 66% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Calmodulin | protein | 144 | 63% helix, 6% strand | P62152 |
| E, F | Target sequence of rat calmodulin-dependent protein kinase I (EC 2.7.1.123) | protein | 25 | 80% helix, 0% strand | Q63450 |
Ligands and binding sites
- CA · Calcium ion · metal · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 94 | 0.40 | 0.77 | 16 | empty |
| 2 | 73 | 0.37 | 0.77 | 13 | empty |
| 3 | 54 | 0.34 | 0.78 | 11 | empty |
| 4 | 62 | 0.31 | 0.75 | 15 | empty |
Interfaces
2 interfaces between chains.
- B–F · 1775 Ų buried · 15 hydrogen bonds · protein-protein
- A–E · 1723 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 1MXE · Structure of the Complex of Calmodulin with the Target Sequence of CaMKI · the same entry in another collection · chain A against A, TM-score 1.00
- Q63450 · AlphaFold monomer V2.0 prediction for CALCIUM/CALMODULIN-dependent protein kinase type 1… · a predicted model of the same protein · chain E against A, TM-score 0.66
- P62152 · AlphaFold monomer V2.0 prediction for calmodulin (P62152) · a predicted model of the same protein · chain A against A, TM-score 0.52
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 P62152
- Every structure of UniProt Q63450
- Elsewhere: RCSB PDB 1MXE · PDBe 1MXE · UniProt P62152 · UniProt Q63450
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