MolNFT v1 · #37053 · protein
Crystal structure of the complex between calmodulin and alphaii- spectrin
2FOT: “Crystal structure of the complex between calmodulin and alphaii- spectrin”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.35). MolNFT v1 #37053 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2FOT
- Type
- protein
- Length
- 157 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin; Alpha-II spectrin spectrin
- UniProt
- P62157, Q13813
- Ligands
- CA
- Pockets
- 1 · best druggability 0.35
Structure
x-ray diffraction · 2 distinct chains · 62% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 134 | 58% helix, 4% strand | P62157 |
| C | Alpha-II spectrin spectrin | protein | 23 | 87% helix, 0% strand | Q13813 |
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 | 59 | 0.35 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- A–C · 1344 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2FOT · Crystal structure of the complex between calmodulin and alphaII-spectrin · the same entry in another collection · chain A against A, TM-score 1.00
- Q13813 · AlphaFold monomer V2.0 prediction for spectrin alpha chain, non- erythrocytic 1 (Q13813) · a predicted model of the same protein · chain C against A, TM-score 0.81
- P62157 · AlphaFold monomer V2.0 prediction for calmodulin (P62157) · 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 P62157
- Every structure of UniProt Q13813
- Elsewhere: RCSB PDB 2FOT · PDBe 2FOT · UniProt P62157 · UniProt Q13813
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