MolNFT v1 · #43059 · protein
The structure of the calcium-sensitizer, dfbp-O, in complex with the N-domain of troponin C and the switch region of troponin I
2L1R: “The structure of the calcium-sensitizer, dfbp-O, in complex with the N-domain of troponin C and the switch…”. Solution nmr, 2 ligands (SXK, CA), 1 pocket (best druggability 0.70). MolNFT v1 #43059 on GenesisL1: 3D structure, binding…
- PDB
- 2L1R
- Type
- protein
- Length
- 109 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Troponin C; Troponin I
- UniProt
- P63316, P19429
- Ligands
- SXK, CA
- Pockets
- 1 · best druggability 0.70
Structure
solution nmr · 2 distinct chains · 58% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Troponin C | protein | 89 | 62% helix, 2% strand | P63316 |
| B | Troponin I | protein | 20 | 40% helix, 0% strand | P19429 |
Ligands and binding sites
- SXK · [(2',4'-difluorobiphenyl-4-yl)oxy]acetic acid · ligand · chains A, B
- CA · Calcium ion · metal · 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 | 177 | 0.70 | 0.88 | 22 | SXK |
Interfaces
1 interface between chains.
- A–B · 663 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2L1R · The structure of the calcium-sensitizer, dfbp-o, in complex with the N-domain of troponin… · the same entry in another collection · chain A against A, 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 A against A, TM-score 0.82
- P19429 · AlphaFold monomer V2.0 prediction for troponin I, cardiac muscle (P19429) · a predicted model of the same protein · chain B against A, TM-score 0.39
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 2L1R · PDBe 2L1R · UniProt P63316 · UniProt P19429
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