Research workbench
KIF14[391-743] - ADP-alfx open state class in complex with a microtubule
Analyse KIF14[391-743] - ADP-alfx open state class in complex with a microtubule in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6WWR
- Type
- protein
- Length
- 1,220 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 KIF14
- UniProt
- Q2XVP4, A0A287AGU7, L0N7N1
- Ligands
- GTP, GDP, TA1, ADP, MG
- Pockets
- 19 · best druggability 0.84
Structure
electron microscopy · 3 distinct chains · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tubulin alpha-1B chain | protein | 441 | 40% helix, 16% strand | Q2XVP4 |
| B | Tubulin beta-2B chain | protein | 434 | 44% helix, 18% strand | A0A287AGU7 |
| K | Kinesin-like protein KIF14 | protein | 345 | 30% helix, 28% strand | L0N7N1 |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · chains A, B
- GDP · Guanosine-5'-diphosphate · ligand · chains B
- TA1 · Taxol · ligand · chains B
- ADP · Adenosine-5'-diphosphate · 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
19 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 266 | 0.84 | 0.95 | 45 | GTP, MG |
| 2 | 1196 | 0.78 | 0.80 | 74 | empty |
| 3 | 423 | 0.68 | 0.80 | 43 | empty |
| 4 | 313 | 0.67 | 0.82 | 47 | empty |
| 5 | 57 | 0.66 | 0.95 | 22 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2020 Ų buried · 25 hydrogen bonds · protein-protein
- A–K · 992 Ų buried · 7 hydrogen bonds · protein-protein
- B–K · 713 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 6WWR · Kif14[391-743] - ADP-AlFx open state class in complex with a microtubule · the same entry in another collection · chain A against A, TM-score 1.00
- L0N7N1 · AlphaFold monomer V2.0 prediction for kinesin-like protein KIF14 (L0N7N1) · a predicted model of the same protein · chain K against A, TM-score 0.90
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 L0N7N1
- Elsewhere: RCSB PDB 6WWR · PDBe 6WWR · UniProt Q2XVP4 · UniProt A0A287AGU7 · UniProt L0N7N1
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