Research workbench
Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins
Analyse Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4UXY
- Type
- protein
- Length
- 1,170 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha tubulin; Beta tubulin; Kinesin-1 motor domain
- UniProt
- P81947, Q6B856, Q12840
- Ligands
- GTP, GDP, TA1, ZN, MG
- Pockets
- 3 · best druggability 0.42
Structure
electron microscopy · 3 distinct chains · 0% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha tubulin | protein | 412 | 0% helix, 0% strand | P81947 |
| B | Beta tubulin | protein | 426 | 0% helix, 0% strand | Q6B856 |
| C | Kinesin-1 motor domain | protein | 332 | 0% helix, 0% strand | Q12840 |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · chains A
- 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
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 | 153 | 0.42 | 0.72 | 34 | empty |
| 2 | 117 | 0.38 | 0.72 | 27 | empty |
| 3 | 63 | 0.29 | 0.72 | 19 | empty |
Interfaces
3 interfaces between chains.
- A–B · 205 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 21 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 12 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4UXY · 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
- Q12840 · AlphaFold monomer V2.0 prediction for kinesin heavy chain isoform 5A (Q12840) · a predicted model of the same protein · chain C against A, TM-score 0.92
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 Q12840
- Elsewhere: RCSB PDB 4UXY · PDBe 4UXY · UniProt P81947 · UniProt Q6B856 · UniProt Q12840
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