MolNFT v1 · #188420 · protein
CAKIP3[2-436] - AMP-pnp in complex with a microtubule
7TR0 · Tubulin alpha-1B chain: “CAKIP3[2-436] - AMP-pnp in complex with a microtubule”. Electron microscopy, 5 ligands (GTP, GDP, TA1), 18 pockets (best druggability 0.83). MolNFT v1 #188420 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7TR0
- Type
- protein
- Length
- 1,229 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tubulin alpha-1B chain; Tubulin beta-2B chain; Kinesin-like protein
- UniProt
- Q2XVP4, A0A287AGU7, C4YNU9
- Ligands
- GTP, GDP, TA1, ANP, MG
- Pockets
- 18 · best druggability 0.83
Structure
electron microscopy · 3 distinct chains · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tubulin alpha-1B chain | protein | 440 | 44% helix, 17% strand | Q2XVP4 |
| B | Tubulin beta-2B chain | protein | 429 | 46% helix, 19% strand | A0A287AGU7 |
| K | Kinesin-like protein | protein | 360 | 34% helix, 25% strand | C4YNU9 |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · chains A, B
- GDP · Guanosine-5'-diphosphate · ligand · chains B
- TA1 · Taxol · ligand · chains B
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains K
- MG · Magnesium ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 230 | 0.83 | 0.96 | 44 | GTP, MG |
| 2 | 1149 | 0.80 | 0.81 | 79 | empty |
| 3 | 473 | 0.69 | 0.80 | 67 | ANP |
| 4 | 324 | 0.64 | 0.80 | 43 | empty |
| 5 | 296 | 0.63 | 0.80 | 37 | GDP |
Interfaces
3 interfaces between chains.
- A–B · 1966 Ų buried · 19 hydrogen bonds · protein-protein
- A–K · 1323 Ų buried · 21 hydrogen bonds · protein-protein
- B–K · 625 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 7TR0 · CaKip3[2-436] - AMP-PNP in complex with a microtubule · 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 A0A287AGU7
- Every structure of UniProt C4YNU9
- Elsewhere: RCSB PDB 7TR0 · PDBe 7TR0 · UniProt Q2XVP4 · UniProt A0A287AGU7 · UniProt C4YNU9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.