MolNFT v1 · #52552 · protein
Isometrically contracting insect asynchronous flight muscle
2W49 · Troponin C, skeletal muscle: “Isometrically contracting insect asynchronous flight muscle”. Electron microscopy, 1 ligand (CA), 20 pockets (best druggability 0.80). MolNFT v1 #52552 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2W49
- Type
- protein
- Length
- 8,776 residues
- Chains
- 36
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Troponin C, skeletal muscle; Troponin T, fast skeletal muscle isoforms; Troponin I, fast…
- UniProt
- P02588, P12620, P68246, P58772, P68135
- Ligands
- CA
- Pockets
- 20 · best druggability 0.80
Structure
electron microscopy · 6 distinct chains · 68% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| 0, 3, 6, 9 | Troponin C, skeletal muscle | protein | 159 | 63% helix, 3% strand | P02588 |
| 1, 4, 7, Y | Troponin T, fast skeletal muscle isoforms | protein | 90 | 77% helix, 0% strand | P12620 |
| 2, 5, 8, Z | Troponin I, fast skeletal muscle | protein | 141 | 65% helix, 0% strand | P68246 |
| A, B, U, V | Tropomyosin alpha-1 chain | protein | 277 | 99% helix, 0% strand | P58772 |
| C, T, W, X | Tropomyosin alpha-1 chain | protein | 39 | 95% helix, 0% strand | P58772 |
| D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S | Actin, alpha skeletal muscle | protein | 372 | 42% helix, 20% strand | P68135 |
Ligands and binding sites
- CA · Calcium ion · metal · 16 copies · chains 0, Y, 3, 1, 6, 4, 9, 7
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1073 | 0.80 | 0.81 | 108 | empty |
| 2 | 931 | 0.79 | 0.81 | 94 | empty |
| 3 | 1137 | 0.78 | 0.80 | 102 | empty |
| 4 | 939 | 0.78 | 0.80 | 99 | empty |
| 5 | 1006 | 0.78 | 0.80 | 97 | empty |
Interfaces
92 interfaces between chains.
- U–V · 7378 Ų buried · 47 hydrogen bonds · protein-protein
- A–B · 7372 Ų buried · 47 hydrogen bonds · protein-protein
- Y–Z · 2430 Ų buried · 21 hydrogen bonds · protein-protein
- 7–8 · 2420 Ų buried · 21 hydrogen bonds · protein-protein
- 1–2 · 2419 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 isopeptide (isopeptide).
Compared structures
- 2W49 · Isometrically contracting insect asynchronous flight muscle · the same entry in another collection · chain 6 against 6, TM-score 1.00
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 P02588
- Every structure of UniProt P12620
- Every structure of UniProt P68246
- Every structure of UniProt P58772
- Every structure of UniProt P68135
- Elsewhere: RCSB PDB 2W49 · PDBe 2W49 · UniProt P02588 · UniProt P12620 · UniProt P68246 · UniProt P58772 · UniProt P68135
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