Research workbench
Kinesin spindle protein EG5 in complex with stlc-type inhibitor PVEI0138
Analyse Kinesin spindle protein EG5 in complex with stlc-type inhibitor PVEI0138 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5ZO7
- Type
- protein
- Length
- 664 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kinesin-like protein KIF11
- UniProt
- P52732
- Ligands
- ADP, 5C5, MG, SO4
- Pockets
- 6 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Kinesin-like protein KIF11 | protein | 332 | 31% helix, 29% strand | P52732 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- 5C5 · (2R)-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 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 | 290 | 0.63 | 0.80 | 34 | empty |
| 2 | 282 | 0.62 | 0.80 | 33 | empty |
| 3 | 167 | 0.60 | 0.83 | 19 | 5C5 |
| 4 | 164 | 0.60 | 0.83 | 20 | 5C5 |
| 5 | 56 | 0.31 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 16 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5ZO7 · Kinesin spindle protein Eg5 in complex with STLC-type inhibitor PVEI0138 · the same entry in another collection · chain B against B, 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 5ZO7 · PDBe 5ZO7 · UniProt P52732
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