MolNFT v1 · #121191 · protein
Structural basis of backwards motion in kinesin-14: minus-end directed NKN664 in the nucleotide-free state
5HNX · Tubulin alpha-1B chain: “Structural basis of backwards motion in kinesin-14: minus-end directed NKN664 in the nucleotide-free state”. Electron microscopy, 4 ligands (GTP, GDP, TA1), 17 pockets (best druggability 0.83). MolNFT v1…
- PDB
- 5HNX
- Type
- protein
- Length
- 1,158 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tubulin alpha-1B chain; Tubulin beta-2B chain; Protein claret…
- UniProt
- P81947, Q6B856, P20480
- Ligands
- GTP, GDP, TA1, MG
- Pockets
- 17 · best druggability 0.83
Structure
electron microscopy · 3 distinct chains · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tubulin alpha-1B chain | protein | 412 | 44% helix, 14% strand | P81947 |
| B | Tubulin beta-2B chain | protein | 426 | 44% helix, 14% strand | Q6B856 |
| K | Protein claret SEGREGATIONAL,KINESIN-1/KINESIN-14,PROTEIN claret segregational | protein | 320 | 28% helix, 24% strand | P20480 |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · chains A, B
- GDP · Guanosine-5'-diphosphate · ligand · chains B
- TA1 · Taxol · ligand · chains B
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 224 | 0.83 | 0.96 | 39 | MG, GTP |
| 2 | 1081 | 0.81 | 0.82 | 89 | empty |
| 3 | 1019 | 0.77 | 0.79 | 131 | empty |
| 4 | 69 | 0.73 | 0.97 | 24 | empty |
| 5 | 206 | 0.57 | 0.80 | 27 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1950 Ų buried · 37 hydrogen bonds · protein-protein
- A–K · 723 Ų buried · 6 hydrogen bonds · protein-protein
- B–K · 668 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 5HNX · Structural basis of backwards motion in kinesin-14: minus-end directed nKn664 in the… · the same entry in another collection · chain A against A, TM-score 1.00
- P20480 · AlphaFold monomer V2.0 prediction for protein claret segregational (P20480) · a predicted model of the same protein · chain K against A, TM-score 0.87
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 P20480
- Elsewhere: RCSB PDB 5HNX · PDBe 5HNX · UniProt P81947 · UniProt Q6B856 · UniProt P20480
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