MolNFT v1 · #134333 · protein
Solution NMR-derived structure of calmodulin bound with er alpha peptides
5T0X: “Solution NMR-derived structure of calmodulin bound with er alpha peptides”. Solution nmr, 1 ligand (CA), 2 pockets (best druggability 0.50). MolNFT v1 #134333 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5T0X
- Type
- protein
- Length
- 186 residues
- Chains
- 3
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin; Estrogen receptor peptide
- UniProt
- P62155, P03372
- Ligands
- CA
- Pockets
- 2 · best druggability 0.50
Structure
solution nmr · 2 distinct chains · 47% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 148 | 42% helix, 1% strand | P62155 |
| B, C | Estrogen receptor peptide | protein | 19 | 84% helix, 0% strand | P03372 |
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
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 | 247 | 0.50 | 0.75 | 38 | empty |
| 2 | 56 | 0.36 | 0.78 | 9 | empty |
Interfaces
2 interfaces between chains.
- A–C · 912 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 787 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5T0X · Solution NMR-derived structure of calmodulin bound with ER alpha peptides · the same entry in another collection · chain A against A, TM-score 1.00
- P03372 · AlphaFold monomer V2.0 prediction for estrogen receptor (P03372) · a predicted model of the same protein · chain C against A, TM-score 0.60
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 P62155
- Every structure of UniProt P03372
- Elsewhere: RCSB PDB 5T0X · PDBe 5T0X · UniProt P62155 · UniProt P03372
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