MolNFT v1 · #154814 · protein
Structure of human cardiac thin filament in the calcium free state
6KN7 · Actin, alpha skeletal muscle: “Structure of human cardiac thin filament in the calcium free state”. Electron microscopy, 1 ligand (ADP), 20 pockets (best druggability 0.85). MolNFT v1 #154814 on GenesisL1: 3D structure, binding…
- PDB
- 6KN7
- Type
- protein
- Length
- 7,781 residues
- Chains
- 29
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actin, alpha skeletal muscle; Tropomyosin alpha-1 chain; Troponin T, cardiac muscle…
- UniProt
- P68135, P09493, P45379, P19429, P63316
- Ligands
- ADP
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 6 distinct chains · 68% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L, M, N, O | Actin, alpha skeletal muscle | protein | 375 | 41% helix, 18% strand | P68135 |
| P, Q, W, X | Tropomyosin alpha-1 chain | protein | 274 | 98% helix, 0% strand | P09493 |
| R, S, Y, Z | Tropomyosin alpha-1 chain | protein | 31 | 84% helix, 0% strand | P09493 |
| T, a | Troponin T, cardiac muscle | protein | 138 | 87% helix, 0% strand | P45379 |
| U, b | Troponin I, cardiac muscle | protein | 170 | 72% helix, 0% strand | P19429 |
| V, c | Troponin C, slow skeletal and cardiac muscles | protein | 160 | 53% helix, 4% strand | P63316 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 15 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O
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 | 1082 | 0.85 | 0.86 | 115 | ADP |
| 2 | 1108 | 0.85 | 0.86 | 125 | ADP |
| 3 | 1063 | 0.85 | 0.86 | 114 | ADP |
| 4 | 973 | 0.84 | 0.85 | 107 | ADP |
| 5 | 1185 | 0.83 | 0.84 | 105 | ADP |
Interfaces
90 interfaces between chains.
- W–X · 6902 Ų buried · 26 hydrogen bonds · protein-protein
- P–Q · 6900 Ų buried · 27 hydrogen bonds · protein-protein
- T–U · 2524 Ų buried · 23 hydrogen bonds · protein-protein
- a–b · 2489 Ų buried · 19 hydrogen bonds · protein-protein
- U–V · 1433 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 6KN7 · Structure of human cardiac thin filament in the calcium free state · the same entry in another collection · chain J against J, 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 P68135
- Every structure of UniProt P09493
- Every structure of UniProt P45379
- Every structure of UniProt P19429
- Every structure of UniProt P63316
- Elsewhere: RCSB PDB 6KN7 · PDBe 6KN7 · UniProt P68135 · UniProt P09493 · UniProt P45379 · UniProt P19429 · UniProt P63316
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