Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T14945 | Target Info | |||
| Target Name | Centromeric protein E (CENPE) | ||||
| Synonyms | Centromere-associated protein E; CENPE; CENP-E | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | CENPE | ||||
| Biochemical Class | TRAFAC class myosin-kinesin ATPase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | adenosine diphosphate | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N | ||||
| InChI | 1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | XTWYTFMLZFPYCI-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 6022 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6M4I Structure of CENP-E motor domain at 1.9 angstrom resolution | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
EGAVAVCVRV
13 RPLNAQVYWK32 TDNNVIYQVD42 GSKSFNFDRV52 FHGNETTKNV62 YEEIAAPIID 72 SAIQGYNGTI82 FAYGQTASGK92 TYTMMGSEDH102 LGVIPRAIHD112 IFQKIKKFPD 122 REFLLRVSYM132 EIYNETITDL142 LCGTQKMKPL152 IIREDVNNVY163 VADLTEEVVY 173 TSEMALKWIT183 KGEKSRHYNQ198 RSSRSHTIFR208 MILESREKGS225 VKVSHLNLVD 235 LAGSERAALK253 EGCNINRSLF263 ILGQVIKKLS273 DGQVGGFINY283 RDSKLTRILQ 293 NSLGGNPKTR303 IICTITPVSF313 DETLTALQFA323 STAKYMKNTP333 YVNEVS |
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| PDB ID: 1T5C Crystal structure of the motor domain of human kinetochore protein CENP-E | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [2] |
| PDB Sequence |
EGAVAVCVRV
13 RPLNSREESL23 GETAQVYWKT33 DNNVIYQVDG43 SKSFNFDRVF53 HGNETTKNVY 63 EEIAAPIIDS73 AIQGYNGTIF83 AYGQTASGKT93 YTMMGSEDHL103 GVIPRAIHDI 113 FQKIKKFPDR123 EFLLRVSYME133 IYNETITDLL143 CGTQKMKPLI153 IREDVNRNVY 163 VADLTEEVVY173 TSEMALKWIT183 KGEKSRHYGE193 TKMNQRSSRS203 HTIFRMILES 213 REKGSVKVSH230 LNLVDLAGSE240 RAARLKEGCN257 INRSLFILGQ267 VIKKLSDGQV 277 GGFINYRDSK287 LTRILQNSLG297 GNAKTRIICT307 ITPVSFDETL317 TALQFASTAK 327 YMKNTPYVNE337 VS
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure and comparison of the motor domain ofcentromere-associated protein E. doi:10.1107/S2059798321000176. | ||||
| REF 2 | Crystal structure of the motor domain of the human kinetochore protein CENP-E. J Mol Biol. 2004 Jul 23;340(5):1107-16. | ||||
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