Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T28484 | Target Info | |||
| Target Name | Kinesin-like protein KIF11 (KIF11) | ||||
| Synonyms | Thyroid receptor interacting protein 5; TRIP5; Kinesin-related motor protein Eg5; Kinesin-like spindle protein HKSP; Kinesin-like protein 1; KIF11; Eg5 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | KIF11 | ||||
| Biochemical Class | Kinesin-like protein family | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Monastrol | Ligand Info | |||
| Canonical SMILES | CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)O)C | ||||
| InChI | 1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20) | ||||
| InChIKey | LOBCDGHHHHGHFA-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 2987927 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1Q0B Crystal structure of the motor protein KSP in complex with ADP and monastrol | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTG55 GLADKSSRKT65 YTFDMVFGAS 75 TKQIDVYRSV85 VCPILDEVIM95 GYNCTIFAYG105 QTGTGKTFTM115 EGERSPNEEY 125 TWEEDPLAGI135 IPRTLHQIFE145 KLTDNGTEFS155 VKVSLLEIYN165 EELFDLLNPS 175 SDVSERLQMF185 DDPRNKRGVI195 IKGLEEITVH205 NKDEVYQILE215 KGAAKRTTAA 225 TLMNAYSSRS235 HSVFSVTIHM245 KETTIDGEEL255 VKIGKLNLVD265 LAGSENINQS 291 LLTLGRVITA301 LVERTPHVPY311 RESKLTRILQ321 DSLGGRTRTS331 IIATISPASL 341 NLEETLSTLE351 YAHRAKNILN361 K
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| PDB ID: 1X88 Human Eg5 motor domain bound to Mg-ADP and monastrol | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [2] |
| PDB Sequence |
NIQVVVRCRP
27 FNLAERKASA37 HSIVECDPVR47 KEVSVRTGGL57 ADKSSRKTYT67 FDMVFGASTK 77 QIDVYRSVVC87 PILDEVIMGY97 NCTIFAYGQT107 GTGKTFTMEG117 ERSPNEEYTW 127 EEDPLAGIIP137 RTLHQIFEKL147 TDNGTEFSVK157 VSLLEIYNEE167 LFDLLNPSSD 177 VSERLQMFDD187 PRNKRGVIIK197 GLEEITVHNK207 DEVYQILEKG217 AAKRTTAATL 227 MNAYSSRSHS237 VFSVTIHMKE247 TTIDGEELVK257 IGKLNLVDLA267 GSENNINQSL 292 LTLGRVITAL302 VERTPHVPYR312 ESKLTRILQD322 SLGGRTRTSI332 IATISPASLN 342 LEETLSTLEY352 AHRAKNILNK362 PE
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Inhibition of a mitotic motor protein: where, how, and conformational consequences. J Mol Biol. 2004 Jan 9;335(2):547-54. | ||||
| REF 2 | Structural Basis of Eg5 Inhibition by Monastrol | ||||
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