MolNFT v1 · #83668 · protein
Kinesin spindle protein EG5 in complex with ATP-competitive inhibitor PVZB1194
3WPN · Kinesin-like protein KIF11: “Kinesin spindle protein EG5 in complex with ATP-competitive inhibitor PVZB1194”. X-ray diffraction, 1 ligand (B4S), 4 pockets (best druggability 0.65). MolNFT v1 #83668 on GenesisL1: 3D structure…
- PDB
- 3WPN
- Type
- protein
- Length
- 309 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kinesin-like protein KIF11
- UniProt
- P52732
- Ligands
- B4S
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kinesin-like protein KIF11 | protein | 309 | 30% helix, 32% strand | P52732 |
Ligands and binding sites
- B4S · 3'-fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 129 | 0.65 | 0.88 | 21 | B4S |
| 2 | 428 | 0.64 | 0.78 | 40 | empty |
| 3 | 163 | 0.49 | 0.78 | 30 | empty |
| 4 | 126 | 0.42 | 0.76 | 22 | empty |
Compared structures
- 3WPN · Kinesin spindle protein Eg5 in complex with ATP-competitive inhibitor PVZB1194 · 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 3WPN · PDBe 3WPN · UniProt P52732
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