MolNFT v1 · #43260 · protein
Solution structure of CA2+/CALMODULIN complexed with a peptide representing the calmodulin-binding domain of calmodulin kinase I
2L7L: “Solution structure of CA2+/CALMODULIN complexed with a peptide representing the calmodulin-binding domain of…”. Solution nmr, 1 ligand (CA), 1 pocket (best druggability 0.32). MolNFT v1 #43260 on GenesisL1: 3D structure, binding…
- PDB
- 2L7L
- Type
- protein
- Length
- 170 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin; CALCIUM/CALMODULIN-dependent protein kinase type 1
- EC
- 2.7.11.17
- UniProt
- B4DJ51, Q63450
- Ligands
- CA
- Pockets
- 1 · best druggability 0.32
Structure
solution nmr · 2 distinct chains · 64% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 148 | 59% helix, 4% strand | B4DJ51 |
| B | CALCIUM/CALMODULIN-dependent protein kinase type 1 (EC 2.7.11.17) | protein | 22 | 91% helix, 0% strand | Q63450 |
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
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 | 56 | 0.32 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1539 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 2L7L · Solution structure of Ca2+/calmodulin complexed with a peptide representing the… · 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 B against A, TM-score 0.47
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 B4DJ51
- Every structure of UniProt Q63450
- Elsewhere: RCSB PDB 2L7L · PDBe 2L7L · UniProt B4DJ51 · UniProt Q63450
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