MolNFT v1 · #168968 · protein
KIF14[391-755] dimer two-heads-bound state - AMP-pnp in complex with a microtubule
6WWL · Tubulin alpha-1B chain: “KIF14[391-755] dimer two-heads-bound state - AMP-pnp in complex with a microtubule”. Electron microscopy, 5 ligands (GTP, GDP, TA1), 20 pockets (best druggability 0.82). MolNFT v1 #168968 on GenesisL1: 3D…
- PDB
- 6WWL
- Type
- protein
- Length
- 2,470 residues
- Chains
- 6
- 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, ANP, MG
- Pockets
- 20 · best druggability 0.82
Structure
electron microscopy · 4 distinct chains · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | Tubulin alpha-1B chain | protein | 440 | 42% helix, 17% strand | Q2XVP4 |
| B, I | Tubulin beta-2B chain | protein | 429 | 47% helix, 17% strand | A0A287AGU7 |
| K | Kinesin-like protein KIF14 | protein | 367 | 30% helix, 28% strand | L0N7N1 |
| N | Kinesin-like protein KIF14 | protein | 365 | 30% helix, 28% strand | L0N7N1 |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, B, E, I
- GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains B, E, I
- TA1 · Taxol · ligand · 2 copies · chains B, I
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains K, N
- MG · Magnesium ion · metal · 3 copies · chains A, B, K, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 254 | 0.82 | 0.95 | 43 | GTP, MG |
| 2 | 242 | 0.82 | 0.95 | 42 | GTP, MG |
| 3 | 306 | 0.82 | 0.93 | 54 | GDP |
| 4 | 1061 | 0.80 | 0.81 | 71 | empty |
| 5 | 914 | 0.77 | 0.80 | 87 | empty |
Interfaces
8 interfaces between chains.
- E–I · 2021 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 1980 Ų buried · 18 hydrogen bonds · protein-protein
- B–E · 1833 Ų buried · 18 hydrogen bonds · protein-protein
- E–N · 921 Ų buried · 10 hydrogen bonds · protein-protein
- B–K · 746 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 6WWL · KIF14[391-755] dimer two-heads-bound state - AMP-PNP in complex with a microtubule · the same entry in another collection · chain N against N, 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 0.94
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 6WWL · PDBe 6WWL · UniProt Q2XVP4 · UniProt A0A287AGU7 · UniProt L0N7N1
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