MolNFT v1 · #14075 · protein
Structure of the regulatory N-domain of human cardiac troponin C in complex with human cardiac troponin-I(147-163) and bepridil
1LXF · Troponin C, slow skeletal and cardiac muscles: “Structure of the regulatory N-domain of human cardiac troponin C in complex with human cardiac…”. Solution nmr, 2 ligands (BEP, CA), 1 pocket (best druggability 0.58). MolNFT v1 #14075…
- PDB
- 1LXF
- Type
- protein
- Length
- 106 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Troponin C, slow skeletal and cardiac muscles; Troponin I, cardiac muscle
- UniProt
- P63316, P19429
- Ligands
- BEP, CA
- Pockets
- 1 · best druggability 0.58
Structure
solution nmr · 2 distinct chains · 58% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Troponin C, slow skeletal and cardiac muscles | protein | 89 | 63% helix, 2% strand | P63316 |
| I | Troponin I, cardiac muscle | protein | 17 | 35% helix, 0% strand | P19429 |
Ligands and binding sites
- BEP · 1-isobutoxy-2-pyrrolidino-3[N-benzylanilino] propane · ligand · chains C, I
- CA · Calcium ion · metal · chains C
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 | 186 | 0.58 | 0.80 | 30 | BEP |
Interfaces
1 interface between chains.
- C–I · 453 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1LXF · Structure of the Regulatory N-domain of Human Cardiac Troponin C in Complex with Human… · the same entry in another collection · chain C against C, TM-score 1.00
- P63316 · AlphaFold monomer V2.0 prediction for troponin C, slow skeletal and cardiac muscles… · a predicted model of the same protein · chain C against A, TM-score 0.76
- P19429 · AlphaFold monomer V2.0 prediction for troponin I, cardiac muscle (P19429) · a predicted model of the same protein · chain I against A, TM-score 0.36
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 P63316
- Every structure of UniProt P19429
- Elsewhere: RCSB PDB 1LXF · PDBe 1LXF · UniProt P63316 · UniProt P19429
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