MolNFT v1 · #46472 · protein
Calmodulin-smooth muscle light chain kinase peptide complex
2O5G: “Calmodulin-smooth muscle light chain kinase peptide complex”. X-ray diffraction, 4 ligands (ACE, CA, NH2), 1 pocket (best druggability 0.30). MolNFT v1 #46472 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2O5G
- Type
- protein
- Length
- 166 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin; Smooth muscle myosin light chain kinase peptide
- UniProt
- P62149, P11799
- Ligands
- ACE, CA, NH2, SO4
- Pockets
- 1 · best druggability 0.30
Structure
x-ray diffraction · 2 distinct chains · 61% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 147 | 57% helix, 5% strand | P62149 |
| B | Smooth muscle myosin light chain kinase peptide | protein | 19 | 89% helix, 0% strand | P11799 |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains B
- CA · Calcium ion · metal · 4 copies · chains A
- NH2 · Amino group · ion · chains A, B
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 69 | 0.30 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1510 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 2O5G · Calmodulin-smooth muscle light chain kinase peptide complex · the same entry in another collection · chain A against A, TM-score 1.00
- P11799 · AlphaFold monomer V2.0 prediction for myosin light chain kinase, smooth muscle (P11799) · a predicted model of the same protein · chain B against A, TM-score 0.77
- P62149 · AlphaFold monomer V2.0 prediction for calmodulin (P62149) · a predicted model of the same protein · chain A against A, TM-score 0.50
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 P62149
- Every structure of UniProt P11799
- Elsewhere: RCSB PDB 2O5G · PDBe 2O5G · UniProt P62149 · UniProt P11799
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