MolNFT v1 · #4619 · protein
Crystal structure of calcium-saturated (3CA2+) cardiac troponin C complexed with the calcium sensitizer bepridil at 2.15 a resolution
1DTL: “Crystal structure of calcium-saturated (3CA2+) cardiac troponin C complexed with the calcium sensitizer…”. X-ray diffraction, 2 ligands (BEP, CA), 1 pocket (best druggability 0.80). MolNFT v1 #4619 on GenesisL1: 3D structure…
- PDB
- 1DTL
- Type
- protein
- Length
- 149 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cardiac troponin C
- UniProt
- P09860
- Ligands
- BEP, CA
- Pockets
- 1 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 63% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cardiac troponin C | protein | 149 | 63% helix, 5% strand | P09860 |
Ligands and binding sites
- BEP · 1-isobutoxy-2-pyrrolidino-3[N-benzylanilino] propane · ligand · 3 copies · chains A
- CA · Calcium ion · metal · 3 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 | 826 | 0.80 | 0.82 | 56 | BEP |
Compared structures
- 1DTL · Crystal structure of calcium-saturated (3CA2+) cardiac troponin C complexed with the… · the same entry in another collection · chain A against A, TM-score 1.00
- P09860 · AlphaFold monomer V2.0 prediction for troponin C, slow skeletal and cardiac muscles… · a predicted model of the same protein · chain A 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 P09860
- Elsewhere: RCSB PDB 1DTL · PDBe 1DTL · UniProt P09860
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