MolNFT v2 · #159825 · protein
Deacetylated Microtubules
6O2R · Tubulin alpha-1B chain: “Deacetylated Microtubules”. Electron microscopy at 3.3, 3 ligands (GTP, GDP, MG), 20 pockets (best druggability 0.85). MolNFT v2 #159825 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6O2R
- Type
- protein
- Length
- 5,166 residues
- Chains
- 12
- Method
- electron microscopy
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 3.3
- Source
- Sus scrofa
- Molecule
- Tubulin alpha-1B chain; Tubulin beta chain
- UniProt
- Q2XVP4, P02554
- Ligands
- GTP, GDP, MG
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · resolution 3.3 · 2 distinct chains · 44% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, J, K, L | Tubulin alpha-1B chain | protein | 432 | 43% helix, 17% strand | Q2XVP4 |
| B, D, F, G, H, I | Tubulin beta chain | protein | 429 | 44% helix, 19% strand | P02554 |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · 6 copies · chains A, H, C, I, E, G, F, J, B, K, D, L
- GDP · Guanosine-5'-diphosphate · ligand · 6 copies · chains A, B, C, D, E, F, G, H, I
- MG · Magnesium ion · metal · 6 copies · chains A, C, E, 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 | 261 | 0.85 | 0.97 | 49 | GDP |
| 2 | 260 | 0.84 | 0.96 | 49 | GDP |
| 3 | 263 | 0.84 | 0.95 | 48 | GDP |
| 4 | 198 | 0.82 | 0.97 | 38 | GTP, MG |
| 5 | 192 | 0.82 | 0.97 | 42 | GTP, MG |
Interfaces
17 interfaces between chains.
- D–L · 2046 Ų buried · 29 hydrogen bonds · protein-protein
- B–K · 2044 Ų buried · 30 hydrogen bonds · protein-protein
- A–H · 2022 Ų buried · 29 hydrogen bonds · protein-protein
- F–J · 2021 Ų buried · 31 hydrogen bonds · protein-protein
- C–I · 2011 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 6O2R · Deacetylated microtubules · the same entry in another collection · chain L against L, 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 6O2R · PDBe 6O2R · UniProt Q2XVP4 · UniProt P02554
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