MolNFT v1 · #165148 · protein
Human EG5 motor domain mutant E344K
6TLE · Kinesin-like protein KIF11: “Human EG5 motor domain mutant E344K”. X-ray diffraction, 3 ligands (ADP, MG, NO3), 7 pockets (best druggability 0.69). MolNFT v1 #165148 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6TLE
- Type
- protein
- Length
- 658 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kinesin-like protein KIF11
- UniProt
- P52732
- Ligands
- ADP, MG, NO3
- Pockets
- 7 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kinesin-like protein KIF11 | protein | 338 | 34% helix, 29% strand | P52732 |
| B | Kinesin-like protein KIF11 | protein | 320 | 34% helix, 29% strand | P52732 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- NO3 · Nitrate ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 525 | 0.69 | 0.79 | 50 | empty |
| 2 | 187 | 0.54 | 0.79 | 24 | empty |
| 3 | 213 | 0.52 | 0.77 | 29 | empty |
| 4 | 174 | 0.48 | 0.77 | 37 | empty |
| 5 | 77 | 0.36 | 0.77 | 19 | MG |
Interfaces
1 interface between chains.
- A–B · 620 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 6TLE · Human Eg5 motor domain mutant E344K · the same entry in another collection · chain A against A, TM-score 1.00
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 P52732
- Elsewhere: RCSB PDB 6TLE · PDBe 6TLE · UniProt P52732
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