MolNFT v1 · #31948 · protein
Solution structure of a calmodulin-target peptide complex by multidimensional NMR
2BBN: “Solution structure of a calmodulin-target peptide complex by multidimensional NMR”. Solution nmr, 1 ligand (CA), 4 pockets (best druggability 0.66). MolNFT v1 #31948 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2BBN
- 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 0.66
Structure
solution nmr · 2 distinct chains · 53% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 148 | 52% helix, 3% strand | P62152 |
| B | Myosin light chain kinase | protein | 26 | 58% 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 211 | 0.66 | 0.84 | 26 | empty |
| 2 | 406 | 0.58 | 0.75 | 36 | empty |
| 3 | 83 | 0.44 | 0.80 | 16 | empty |
| 4 | 54 | 0.28 | 0.75 | 9 | empty |
Interfaces
1 interface between chains.
- A–B · 1537 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2BBN · 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 0.56
- 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 2BBN · PDBe 2BBN · UniProt P62152 · UniProt P07313
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