MolNFT v1 · #63020 · protein
Crystal structure of calmodulin complexed with a peptide
3EWV: “Crystal structure of calmodulin complexed with a peptide”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.61). MolNFT v1 #63020 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3EWV
- Type
- protein
- Length
- 162 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin; Tumor necrosis factor receptor superfamily member 16
- UniProt
- P62158, P08138
- Ligands
- CA
- Pockets
- 1 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 59% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 145 | 57% helix, 4% strand | P62158 |
| E | Tumor necrosis factor receptor superfamily member 16 | protein | 17 | 71% helix, 0% strand | P08138 |
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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 328 | 0.61 | 0.78 | 45 | empty |
Interfaces
1 interface between chains.
- A–E · 1195 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3EWV · Crystal Structure of calmodulin complexed with a peptide · the same entry in another collection · chain A against A, TM-score 1.00
- P08138 · AlphaFold monomer V2.0 prediction for tumor necrosis factor receptor superfamily member… · a predicted model of the same protein · chain E against A, TM-score 0.53
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 P08138
- Elsewhere: RCSB PDB 3EWV · PDBe 3EWV · UniProt P62158 · UniProt P08138
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