MolNFT v1 · #165973 · protein
Barbed end side of a cofilactin cluster
6UC4 · Actin, alpha skeletal muscle: “Barbed end side of a cofilactin cluster”. Electron microscopy, 2 ligands (ADP, MG), 20 pockets (best druggability 0.85). MolNFT v1 #165973 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6UC4
- Type
- protein
- Length
- 4,066 residues
- Chains
- 16
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actin, alpha skeletal muscle; Cofilin-1
- UniProt
- P68135, P23528
- Ligands
- ADP, MG
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 5 distinct chains · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Actin, alpha skeletal muscle | protein | 370 | 40% helix, 18% strand | P68135 |
| D, J, K, L | Actin, alpha skeletal muscle | protein | 356 | 41% helix, 19% strand | P68135 |
| E, F | Actin, alpha skeletal muscle | protein | 190 | 43% helix, 15% strand | P68135 |
| G, H | Actin, alpha skeletal muscle | protein | 166 | 40% helix, 23% strand | P68135 |
| I, M, N, O, P | Cofilin-1 | protein | 164 | 27% helix, 29% strand | P23528 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 9 copies · chains A, B, C, D, E, H, F, G, J, K, L
- MG · Magnesium ion · metal · 9 copies · chains A, B, C, D, E, H, F, G, J, K, L
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 | 792 | 0.85 | 0.88 | 119 | MG, ADP |
| 2 | 944 | 0.84 | 0.86 | 100 | MG, ADP |
| 3 | 590 | 0.83 | 0.88 | 88 | MG, ADP |
| 4 | 1158 | 0.82 | 0.83 | 102 | MG, ADP |
| 5 | 921 | 0.77 | 0.80 | 91 | MG, ADP |
Interfaces
36 interfaces between chains.
- A–B · 1215 Ų buried · 8 hydrogen bonds · protein-protein
- J–N · 1151 Ų buried · 14 hydrogen bonds · protein-protein
- D–M · 1133 Ų buried · 11 hydrogen bonds · protein-protein
- K–O · 1093 Ų buried · 4 hydrogen bonds · protein-protein
- A–E · 1021 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6UC4 · Barbed end side of a cofilactin cluster · the same entry in another collection · chain M against M, 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 P23528
- Elsewhere: RCSB PDB 6UC4 · PDBe 6UC4 · UniProt P68135 · UniProt P23528
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