MolNFT v1 · #150531 · protein
TUBULIN:IE5 alpharep complex
6GWC · Alpha-tubulin: “TUBULIN:IE5 alpharep complex”. X-ray diffraction, 2 ligands (GTP, MG), 13 pockets (best druggability 0.80). MolNFT v1 #150531 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6GWC
- Type
- protein
- Length
- 1,065 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-tubulin; Tubulin beta chain; IE5 alpharep
- UniProt
- D0VWY9
- Ligands
- GTP, MG
- Pockets
- 13 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 54% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-tubulin | protein | 431 | 45% helix, 18% strand | — |
| B | Tubulin beta chain | protein | 417 | 49% helix, 19% strand | D0VWY9 |
| C | IE5 alpharep | protein | 217 | 81% helix, 0% strand | — |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B
- PGE · Triethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1115 | 0.80 | 0.81 | 113 | GTP, MG, PGE |
| 2 | 258 | 0.62 | 0.81 | 37 | empty |
| 3 | 151 | 0.61 | 0.85 | 33 | empty |
| 4 | 176 | 0.61 | 0.83 | 34 | GTP, MG |
| 5 | 309 | 0.57 | 0.76 | 33 | empty |
Interfaces
2 interfaces between chains.
- A–C · 1308 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 1271 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6GWC · Tubulin:iE5 alphaRep complex · 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 D0VWY9
- Elsewhere: RCSB PDB 6GWC · PDBe 6GWC · UniProt D0VWY9
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