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-4-Methoxyltrityl-L-cysteine | Ligand Info | |||
| Canonical SMILES | COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N | ||||
| InChI | 1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1 | ||||
| InChIKey | QAINHNNAIDVCEZ-NRFANRHFSA-N | ||||
| PubChem Compound ID | 7472794 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5ZO8 Eg5 motor domain in complex with STLC-type inhibitor PVEI0021 (P21 type) | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [1] |
| PDB Sequence |
MKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTS61 SRKTYTFDMV71 FGASTKQIDV 81 YRSVVCPILD91 EVIMGYNCTI101 FAYGQTGTGK111 TFTMEGERSP121 NEEYTWEEDP 131 LAGIIPRTLH141 QIFEKLTDNG151 TEFSVKVSLL161 EIYNEELFDL171 LNPSSDVSER 181 LQMFDDPRNK191 RGVIIKGLEE201 ITVHNKDEVY211 QILEKGAAKR221 TTAATLMNAY 231 SSRSHSVFSV241 TIHMKETTID251 GEELVKIGKL261 NLVDLAGSEN271 NINQSLLTLG 296 RVITALVERT306 PHVPYRESKL316 TRILQDSLGG326 RTRTSIIATI336 SPASLNLEET 346 LSTLEYAHRA356 KNILNKPEVN366 Q
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| PDB ID: 5ZO9 Eg5 motor domain in complex with STLC-type inhibitor PVEI0021 (C2 type) | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [1] |
| PDB Sequence |
MKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTS61 SRKTYTFDMV71 FGASTKQIDV 81 YRSVVCPILD91 EVIMGYNCTI101 FAYGQTGTGK111 TFTMEGERSP121 NEEYTWEEDP 131 LAGIIPRTLH141 QIFEKLTDNG151 TEFSVKVSLL161 EIYNEELFDL171 LNPSSDVSER 181 LQMFDDPRNK191 RGVIIKGLEE201 ITVHNKDEVY211 QILEKGAAKR221 TTAATLMNAY 231 SSRSHSVFSV241 TIHMKETTID251 GEELVKIGKL261 NLVDLAGSEN271 NINQSLLTLG 296 RVITALVERT306 PHVPYRESKL316 TRILQDSLGG326 RTRTSIIATI336 SPASLNLEET 346 LSTLEYAHRA356 KNILNKPEVN366 Q
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural and Thermodynamic Basis of the Enhanced Interaction between Kinesin Spindle Protein Eg5 and STLC-type Inhibitors. ACS Omega. 2018 Sep 28;3(9):12284-12294. | ||||
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