MolNFT v1 · #108138 · protein
Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins
4UXP · Tubulin alpha-1B chain: “Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport…”. Electron microscopy, 6 ligands (GTP, GDP, TA1), 3 pockets (best druggability 0.38). MolNFT v1…
- PDB
- 4UXP
- Type
- protein
- Length
- 1,190 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tubulin alpha-1B chain; Tubulin beta-2B chain; Kinesin-3 motor domain
- UniProt
- P81947, Q6B856, Q12756
- Ligands
- GTP, GDP, TA1, ANP, MG, ZN
- Pockets
- 3 · best druggability 0.38
Structure
electron microscopy · 3 distinct chains · 0% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tubulin alpha-1B chain | protein | 412 | 0% helix, 0% strand | P81947 |
| B | Tubulin beta-2B chain | protein | 426 | 0% helix, 0% strand | Q6B856 |
| C | Kinesin-3 motor domain | protein | 352 | 0% helix, 0% strand | Q12756 |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · chains A
- GDP · Guanosine-5'-diphosphate · ligand · chains B
- TA1 · Taxol · ligand · chains B
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains C
- MG · Magnesium ion · metal · 2 copies · chains A, C
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 111 | 0.38 | 0.72 | 26 | empty |
| 2 | 111 | 0.37 | 0.72 | 28 | empty |
| 3 | 93 | 0.36 | 0.73 | 27 | empty |
Interfaces
2 interfaces between chains.
- A–B · 205 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 18 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4UXP · Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force… · the same entry in another collection · chain A against A, TM-score 1.00
- Q12756 · AlphaFold monomer V2.0 prediction for kinesin-like protein KIF1A (Q12756) · a predicted model of the same protein · chain C against A, TM-score 0.93
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 P81947
- Every structure of UniProt Q6B856
- Every structure of UniProt Q12756
- Elsewhere: RCSB PDB 4UXP · PDBe 4UXP · UniProt P81947 · UniProt Q6B856 · UniProt Q12756
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