MolNFT v1 · #165334 · protein
Human EG5 motor domain mutant Y82F
6TRL · Kinesin-like protein KIF11: “Human EG5 motor domain mutant Y82F”. X-ray diffraction, 3 ligands (ADP, MG, NO3), 6 pockets (best druggability 0.81). MolNFT v1 #165334 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6TRL
- Type
- protein
- Length
- 662 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
- 6 · best druggability 0.81
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 | 330 | 34% helix, 28% strand | P52732 |
| B | Kinesin-like protein KIF11 | protein | 332 | 35% 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 A, B
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 980 | 0.81 | 0.83 | 114 | MG, ADP |
| 2 | 241 | 0.59 | 0.79 | 28 | empty |
| 3 | 175 | 0.57 | 0.81 | 35 | empty |
| 4 | 209 | 0.56 | 0.79 | 25 | empty |
| 5 | 116 | 0.48 | 0.80 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1067 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 6TRL · Human Eg5 motor domain mutant Y82F · 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 6TRL · PDBe 6TRL · UniProt P52732
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