MolNFT v1 · #145688 · protein
Model of synthetic tau (four tandem repeats of first repeat sequence) bound to the microtubule
6CVJ · Tubulin alpha-1B chain: “Model of synthetic tau (four tandem repeats of first repeat sequence) bound to the microtubule”. Electron microscopy, 3 ligands (GDP, GTP, MG), 20 pockets (best druggability 0.83). MolNFT v1 #145688 on…
- PDB
- 6CVJ
- Type
- protein
- Length
- 1,308 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tubulin alpha-1B chain; Tubulin beta chain; Microtubule-associated protein tau
- UniProt
- Q2XVP4, P02554
- Ligands
- GDP, GTP, MG
- Pockets
- 20 · best druggability 0.83
Structure
electron microscopy · 4 distinct chains · 46% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tubulin alpha-1B chain | protein | 439 | 44% helix, 18% strand | Q2XVP4 |
| B | Tubulin beta chain | protein | 431 | 46% helix, 19% strand | P02554 |
| C | Tubulin beta chain | protein | 426 | 49% helix, 19% strand | P02554 |
| D | Microtubule-associated protein tau | protein | 12 | 0% helix, 0% strand | — |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains B, A, C
- GTP · Guanosine-5'-triphosphate · ligand · chains A, B
- MG · Magnesium ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 232 | 0.83 | 0.96 | 45 | GTP, MG |
| 2 | 379 | 0.79 | 0.88 | 70 | GDP |
| 3 | 57 | 0.63 | 0.93 | 22 | empty |
| 4 | 272 | 0.56 | 0.76 | 29 | empty |
| 5 | 194 | 0.55 | 0.79 | 37 | GDP |
Interfaces
4 interfaces between chains.
- A–B · 2043 Ų buried · 29 hydrogen bonds · protein-protein
- A–C · 1900 Ų buried · 25 hydrogen bonds · protein-protein
- A–D · 456 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 293 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6CVJ · Model of synthetic tau (four tandem repeats of first repeat sequence) bound to the… · the same entry in another collection · chain A against A, 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 Q2XVP4
- Every structure of UniProt P02554
- Elsewhere: RCSB PDB 6CVJ · PDBe 6CVJ · UniProt Q2XVP4 · UniProt P02554
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