Research workbench
Crystal structure of human kinesin EG5 in complex with (S)-enastron
Analyse Crystal structure of human kinesin EG5 in complex with (S)-enastron in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2X7C
- 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, KZ9, MG
- Pockets
- 8 · best druggability 0.66
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 | 332 | 34% helix, 31% strand | P52732 |
| B | Kinesin-like protein KIF11 | protein | 334 | 33% helix, 30% strand | P52732 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- KZ9 · (S)-4-(3-hydroxyphenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 712 | 0.66 | 0.75 | 61 | empty |
| 2 | 410 | 0.62 | 0.77 | 41 | empty |
| 3 | 250 | 0.61 | 0.80 | 40 | MG, KZ9 |
| 4 | 328 | 0.60 | 0.78 | 33 | empty |
| 5 | 149 | 0.60 | 0.84 | 26 | KZ9 |
Interfaces
1 interface between chains.
- A–B · 283 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2X7C · Crystal structure of human kinesin Eg5 in complex with (S)-enastron · 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 2X7C · PDBe 2X7C · UniProt P52732
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