Research workbench
Solution structure of a calmodulin-target peptide complex by multidimensional NMR
Analyse Solution structure of a calmodulin-target peptide complex by multidimensional… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2BBM
- Type
- protein
- Length
- 174 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin; Myosin light chain kinase
- UniProt
- P62152, P07313
- Ligands
- CA
- Pockets
- 4 · best druggability 0.60
Structure
solution nmr · 2 distinct chains · 56% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 148 | 55% helix, 3% strand | P62152 |
| B | Myosin light chain kinase | protein | 26 | 62% helix, 0% strand | P07313 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 169 | 0.60 | 0.83 | 31 | empty |
| 2 | 283 | 0.54 | 0.75 | 28 | empty |
| 3 | 60 | 0.52 | 0.86 | 19 | empty |
| 4 | 99 | 0.43 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1514 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2BBM · Solution structure of a calmodulin-target peptide complex by multidimensional NMR · the same entry in another collection · chain A against A, TM-score 1.00
- P07313 · AlphaFold monomer V2.0 prediction for myosin light chain kinase 2, SKELETAL/CARDIAC… · a predicted model of the same protein · chain B against A, TM-score 0.55
- P62152 · AlphaFold monomer V2.0 prediction for calmodulin (P62152) · a predicted model of the same protein · chain A against A, TM-score 0.44
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 P07313
- Elsewhere: RCSB PDB 2BBM · PDBe 2BBM · UniProt P62152 · UniProt P07313
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