MolNFT v1 · #42353 · protein
NMR solution of the regulatory domain cardiac F77W-troponin C in complex with the cardiac troponin I 144-163 switch peptide
2KGB · Troponin C, slow skeletal and cardiac muscles: “NMR solution of the regulatory domain cardiac F77W-troponin C in complex with the cardiac troponin I 144-163…”. Solution nmr, 1 ligand (CA), 2 pockets (best druggability 0.57). MolNFT…
- PDB
- 2KGB
- Type
- protein
- Length
- 109 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
- CA
- Pockets
- 2 · best druggability 0.57
Structure
solution nmr · 2 distinct chains · 56% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Troponin C, slow skeletal and cardiac muscles | protein | 89 | 62% helix, 2% strand | P63316 |
| I | Troponin I, cardiac muscle | protein | 20 | 30% helix, 0% strand | P19429 |
Ligands and binding sites
- CA · Calcium ion · metal · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 232 | 0.57 | 0.78 | 27 | empty |
| 2 | 129 | 0.54 | 0.82 | 21 | empty |
Interfaces
1 interface between chains.
- C–I · 540 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2KGB · NMR solution of the regulatory domain cardiac F77W-Troponin C in complex with the cardiac… · 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 0.78
- 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 0.26
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 2KGB · PDBe 2KGB · UniProt P63316 · UniProt P19429
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