MolNFT v1 · #151938 · protein
Refined 13PF hela cell tubulin microtubule (EML4-ntd decorated)
6I2I · Tubulin alpha-1B chain: “Refined 13PF hela cell tubulin microtubule (EML4-ntd decorated)”. Electron microscopy, 4 ligands (GTP, G2P, TA1), 11 pockets (best druggability 0.81). MolNFT v1 #151938 on GenesisL1: 3D structure, binding…
- PDB
- 6I2I
- Type
- protein
- Length
- 856 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tubulin alpha-1B chain; Tubulin beta chain
- UniProt
- P68363, P07437
- Ligands
- GTP, G2P, TA1, MG
- Pockets
- 11 · best druggability 0.81
Structure
electron microscopy · 2 distinct chains · 39% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tubulin alpha-1B chain | protein | 430 | 39% helix, 14% strand | P68363 |
| B | Tubulin beta chain | protein | 426 | 40% helix, 15% strand | P07437 |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · chains A
- G2P · Phosphomethylphosphonic acid guanylate ester · ligand · chains A, B
- TA1 · Taxol · ligand · chains B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 964 | 0.81 | 0.83 | 113 | G2P, MG |
| 2 | 57 | 0.73 | 0.99 | 19 | empty |
| 3 | 246 | 0.61 | 0.81 | 34 | GTP, MG |
| 4 | 282 | 0.54 | 0.75 | 31 | TA1 |
| 5 | 61 | 0.45 | 0.83 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1396 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 6I2I · Refined 13pf Hela Cell Tubulin microtubule (EML4-NTD decorated) · the same entry in another collection · chain A against A, TM-score 1.00
- P68363 · AlphaFold monomer V2.0 prediction for tubulin alpha-1B chain (P68363) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P07437 · AlphaFold monomer V2.0 prediction for tubulin beta chain (P07437) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P68363
- Every structure of UniProt P07437
- Elsewhere: RCSB PDB 6I2I · PDBe 6I2I · UniProt P68363 · UniProt P07437
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