MolNFT v1 · #187758 · protein
NMR structure of ctnc-tni chimera bound to calcium and A1
7SUP · Troponin C, slow skeletal and cardiac MUSCLES,TROPONIN I…: “NMR structure of ctnc-tni chimera bound to calcium and A1”. Solution nmr, 2 ligands (BQ6, CA), 2 pockets (best druggability 0.68). MolNFT v1 #187758 on GenesisL1: 3D…
- PDB
- 7SUP
- Type
- protein
- Length
- 129 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Troponin C, slow skeletal and cardiac MUSCLES,TROPONIN I, cardiac muscle chimera
- UniProt
- P63316, P19429
- Ligands
- BQ6, CA
- Pockets
- 2 · best druggability 0.68
Structure
solution nmr · 1 distinct chain · 57% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Troponin C, slow skeletal and cardiac MUSCLES,TROPONIN I, cardiac muscle chimera | protein | 129 | 57% helix, 2% strand | P63316, P19429 |
Ligands and binding sites
- BQ6 · 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide · ligand · chains A
- CA · Calcium ion · metal · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 217 | 0.68 | 0.85 | 26 | BQ6 |
| 2 | 103 | 0.40 | 0.76 | 16 | empty |
Compared structures
- 7SUP · NMR structure of cTnC-TnI chimera bound to calcium and A1 · 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 0.65
- P19429 · AlphaFold monomer V2.0 prediction for troponin I, cardiac muscle (P19429) · a predicted model of the same protein · chain A against A, TM-score 0.22
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 7SUP · PDBe 7SUP · UniProt P63316 · UniProt P19429
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