Structural Basis of Eg5 Inhibition by Monastrol
Maliga, Z., Mitchison, T.J.To be published.
Experimental Data Snapshot
Starting Model: experimental
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wwPDB Validation   3D Report Full Report
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Kinesin-like protein KIF11 | 359 | Homo sapiens | Mutation(s): 0  Gene Names: KIF11, KNSL1, EG5 | ![]() | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P52732 (Homo sapiens) Explore P52732  Go to UniProtKB:  P52732 | |||||
PHAROS:  P52732 GTEx:  ENSG00000138160  | |||||
Entity Groups   | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P52732 | ||||
Sequence AnnotationsExpand | |||||
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| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ADP Query on ADP | D [auth A], G [auth B] | ADENOSINE-5'-DIPHOSPHATE C10 H15 N5 O10 P2 XTWYTFMLZFPYCI-KQYNXXCUSA-N | |||
| NAT Query on NAT | E [auth A], H [auth B] | ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE C14 H16 N2 O3 S LOBCDGHHHHGHFA-LBPRGKRZSA-N | |||
| MG Query on MG | C [auth A], F [auth B] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N | |||
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 69.706 | α = 90 |
| b = 79.648 | β = 90 |
| c = 159.451 | γ = 90 |
| Software Name | Purpose |
|---|---|
| CNS | refinement |
| Blu-Ice | data collection |
| SCALEPACK | data scaling |
| SOLVE | phasing |