MolNFT v1 · #11196 · protein
Refined structure of alpha-beta tubulin from zinc-induced sheets stabilized with taxol
1JFF · Tubulin alpha chain: “Refined structure of alpha-beta tubulin from zinc-induced sheets stabilized with taxol”. Electron crystallography, 5 ligands (GTP, GDP, TA1), 15 pockets (best druggability 0.82). MolNFT v1 #11196 on GenesisL1…
- PDB
- 1JFF
- Type
- protein
- Length
- 838 residues
- Chains
- 2
- Method
- electron crystallography
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tubulin alpha chain; Tubulin beta chain
- Ligands
- GTP, GDP, TA1, ZN, MG
- Pockets
- 15 · best druggability 0.82
Structure
electron crystallography · 2 distinct chains · 44% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tubulin alpha chain | protein | 412 | 44% helix, 14% strand | — |
| B | Tubulin beta chain | protein | 426 | 44% helix, 14% strand | — |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · chains A, B
- GDP · Guanosine-5'-diphosphate · ligand · chains B
- TA1 · Taxol · ligand · chains B
- ZN · Zinc ion · metal · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 224 | 0.82 | 0.95 | 43 | MG, GTP |
| 2 | 68 | 0.72 | 0.96 | 23 | empty |
| 3 | 156 | 0.64 | 0.85 | 28 | empty |
| 4 | 276 | 0.56 | 0.77 | 32 | TA1 |
| 5 | 191 | 0.55 | 0.80 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1881 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 1JFF · Refined structure of alpha-beta tubulin from zinc-induced sheets stabilized with taxol · 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
- Elsewhere: RCSB PDB 1JFF · PDBe 1JFF
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