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 | S-Trityl-L-cysteine | Ligand Info | |||
| Canonical SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N | ||||
| InChI | 1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1 | ||||
| InChIKey | DLMYFMLKORXJPO-FQEVSTJZSA-N | ||||
| PubChem Compound ID | 76044 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3KEN Human Eg5 in complex with S-trityl-L-cysteine | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [1] |
| 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 GSENINQSLL 293 TLGRVITALV303 ERTPHVPYRE313 SKLTRILQDS323 LGGRTRTSII333 ATISPASLNL 343 EETLSTLEYA353 HRAKNILNKP363 EVN
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| PDB ID: 2WOG Intermediate and final states of human kinesin Eg5 in complex with S-trityl-L-cysteine | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [2] |
| PDB Sequence |
KNIQVVVRCR
26 PFNLAERKAS36 AHSIVECDPV46 RKEVSVRTGG56 LADKSSRKTY66 TFDMVFGAST 76 KQIDVYRSVV86 CPILDEVIMG96 YNCTIFAYGQ106 TGTGKTFTME116 GERSPNEEYT 126 WEEDPLAGII136 PRTLHQIFEK146 LTDNGTEFSV156 KVSLLEIYNE166 ELFDLLNPSS 176 DVSERLQMFD186 DPRNKRGVII196 KGLEEITVHN206 KDEVYQILEK216 GAAKRTTAAT 226 LMNAYSSRSH236 SVFSVTIHMK246 ETTIDGEELV256 KIGKLNLVDL266 AGSENNINQS 291 LLTLGRVITA301 LVERTPHVPY311 RESKLTRILQ321 DSLGGRTRTS331 IIATISPASL 341 NLEETLSTLE351 YAHRAKNILN361 KPE
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Allosteric drug discrimination is coupled to mechanochemical changes in the kinesin-5 motor core. J Biol Chem. 2010 Jun 11;285(24):18650-61. | ||||
| REF 2 | An allosteric transition trapped in an intermediate state of a new kinesin-inhibitor complex. Biochem J. 2009 Dec 14;425(1):55-60. | ||||
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