MolNFT v1 · #123061 · protein
Structure of calmodulin in a complex with a peptide derived from a calmodulin-dependent kinase
5J8H: “Structure of calmodulin in a complex with a peptide derived from a calmodulin-dependent kinase”. Solution nmr, 1 ligand (CA), 2 pockets (best druggability 0.38). MolNFT v1 #123061 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5J8H
- Type
- protein
- Length
- 175 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin; Eukaryotic elongation factor 2 kinase
- EC
- 2.7.11.20
- UniProt
- P62158, O00418
- Ligands
- CA
- Pockets
- 2 · best druggability 0.38
Structure
solution nmr · 2 distinct chains · 57% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 148 | 59% helix, 5% strand | P62158 |
| B | Eukaryotic elongation factor 2 kinase (EC 2.7.11.20) | protein | 27 | 41% helix, 0% strand | O00418 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 97 | 0.38 | 0.76 | 14 | empty |
| 2 | 86 | 0.37 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1554 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 5J8H · Structure of calmodulin in a complex with a peptide derived from a calmodulin-dependent… · the same entry in another collection · chain A against A, TM-score 1.00
- O00418 · AlphaFold monomer V2.0 prediction for eukaryotic elongation factor 2 kinase (O00418) · a predicted model of the same protein · chain B against A, TM-score 0.43
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 P62158
- Every structure of UniProt O00418
- Elsewhere: RCSB PDB 5J8H · PDBe 5J8H · UniProt P62158 · UniProt O00418
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