MolNFT v1 · #141945 · protein
EG5 motor domain in complex with stlc-type inhibitor PVEI0021 (C2 type)
5ZO9 · Kinesin-like protein KIF11: “EG5 motor domain in complex with stlc-type inhibitor PVEI0021 (C2 type)”. X-ray diffraction, 5 ligands (ADP, 4C5, MG), 6 pockets (best druggability 0.63). MolNFT v1 #141945 on GenesisL1: 3D structure…
- PDB
- 5ZO9
- 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, 4C5, MG, NA, SO4
- Pockets
- 6 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Kinesin-like protein KIF11 | protein | 331 | 34% helix, 29% strand | P52732 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- 4C5 · (2R)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
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 | 291 | 0.63 | 0.80 | 34 | empty |
| 2 | 164 | 0.63 | 0.84 | 21 | 4C5 |
| 3 | 308 | 0.61 | 0.79 | 35 | empty |
| 4 | 163 | 0.59 | 0.82 | 21 | 4C5 |
| 5 | 77 | 0.41 | 0.80 | 20 | MG |
Compared structures
- 5ZO9 · Eg5 motor domain in complex with STLC-type inhibitor PVEI0021 (C2 type) · 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 5ZO9 · PDBe 5ZO9 · UniProt P52732
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.