MolNFT v1 · #68680 · protein
Co-crystal structure of the human kinesin EG5 with a novel tetrahydro- beta-carboline
3K3B · Kinesin-like protein KIF11: “Co-crystal structure of the human kinesin EG5 with a novel tetrahydro- beta-carboline”. X-ray diffraction, 5 ligands (ADP, L31, MG), 5 pockets (best druggability 0.81). MolNFT v1 #68680 on GenesisL1: 3D…
- PDB
- 3K3B
- Type
- protein
- Length
- 666 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kinesin-like protein KIF11
- UniProt
- P52732
- Ligands
- ADP, L31, MG, NO3, CL
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kinesin-like protein KIF11 | protein | 335 | 33% helix, 30% strand | P52732 |
| B | Kinesin-like protein KIF11 | protein | 331 | 33% helix, 30% strand | P52732 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- L31 · 3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- NO3 · Nitrate ion · ion · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1034 | 0.81 | 0.82 | 122 | MG, ADP, NO3 |
| 2 | 135 | 0.60 | 0.84 | 20 | L31 |
| 3 | 122 | 0.58 | 0.84 | 28 | L31 |
| 4 | 207 | 0.56 | 0.79 | 27 | empty |
| 5 | 198 | 0.54 | 0.78 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 929 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 3K3B · Co-crystal structure of the human kinesin Eg5 with a novel tetrahydro-beta-carboline · 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 3K3B · PDBe 3K3B · UniProt P52732
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.