Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T92966 | Target Info | |||
| Target Name | Hepatocellular carcinoma-associated antigen 90 (TPX2) | ||||
| Synonyms | Restricted expression proliferation-associated protein 100; Protein fls353; Hepatocellular carcinoma-associated antigen 519; HCA519; Differentially expressed in cancerous and non-cancerous lung cells 2; DIL2; DIL-2; C20orf2; C20orf1 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | TPX2 | ||||
| Biochemical Class | TPX2 family | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphonothreonine | Ligand Info | |||
| Canonical SMILES | CC(C(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 | ||||
| InChIKey | USRGIUJOYOXOQJ-GBXIJSLDSA-N | ||||
| PubChem Compound ID | 3246323 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6VPM TPX2 residues 7-20 fused to Aurora A residues 116-389 with C290 disulfide bonded to compound 8-34, and in complex with AMP-PNP | ||||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [1] |
| PDB Sequence |
MSYSYDAPSD
15 FINFSSKRQW128 ALEDFEIGRP138 LGKGKFGNVY148 LAREKQSKFI158 LALKVLFKAQ 168 LEKAGVEHQL178 RREVEIQSHL188 RHPNILRLYG198 YFHDATRVYL208 ILEYAPLGTV 218 YRELQKLSKF228 DEQRTATYIT238 ELANALSYCH248 SKRVIHRDIK258 PENLLLGSAG 268 ELKIADFGWS278 VHAPTLCGTL293 DYLPPEMIEG303 RMHDEKVDLW313 SLGVLCYEFL 323 VGKPPFEANT333 YQETYKRISR343 VEFTFPDFVT353 EGARDLISRL363 LKHNPSQRPM 373 LREVLEHPWI383 TANSSK
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| PDB ID: 6VPL TPX2 residues 7-20 fused to Aurora A residues 116-389 with C290 disulfide bonded to compound 7-80, and in complex with AMP-PNP | ||||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [1] |
| PDB Sequence |
MSYSYDAPSD
15 FINFSSKRQW128 ALEDFEIGRP138 LGKGKFGNVY148 LAREKQSKFI158 LALKVLFKAQ 168 LEKAGVEHQL178 RREVEIQSHL188 RHPNILRLYG198 YFHDATRVYL208 ILEYAPLGTV 218 YRELQKLSKF228 DEQRTATYIT238 ELANALSYCH248 SKRVIHRDIK258 PENLLLGSAG 268 ELKIADFGWS278 VHAPTLCGTL293 DYLPPEMIEG303 RMHDEKVDLW313 SLGVLCYEFL 323 VGKPPFEANT333 YQETYKRISR343 VEFTFPDFVT353 EGARDLISRL363 LKHNPSQRPM 373 LREVLEHPWI383 TANSSK
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| PDB ID: 6VPH TPX2 residues 7-20 fused to Aurora A residues 116-389 modified with cacodylate and in complex with AMP-PNP | ||||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | No | [1] |
| PDB Sequence |
HMSYSYDAPS
14 DFINFSSSKK125 RQWALEDFEI135 GRPLGKGKFG145 NVYLAREKQS155 KFILALKVLF 165 KAQLEKAGVE175 HQLRREVEIQ185 SHLRHPNILR195 LYGYFHDATR205 VYLILEYAPL 215 GTVYRELQKL225 SKFDEQRTAT235 YITELANALS245 YHSKRVIHRD256 IKPENLLLGS 266 AGELKIADFG276 WSVHAPSSRR286 LGTLDYLPPE299 MIEGRMHDEK309 VDLWSLGVLC 319 YEFLVGKPPF329 EANTYQETYK339 RISRVEFTFP349 DFVTEGARDL359 ISRLLKHNPS 369 QRPMLREVLE379 HPWITANSSK389
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| PDB ID: 6VPG TPX2 residues 7-20 fused to Aurora A residues 116-389 in complex with AMP-PNP | ||||||
| Method | X-ray diffraction | Resolution | 2.64 Å | Mutation | No | [1] |
| PDB Sequence |
SYSYDAPSDF
16 INFSSKKKRQ127 WALEDFEIGR137 PLGKGKFGNV147 YLAREKQSKF157 ILALKVLFKA 167 QLEKAGVEHQ177 LRREVEIQSH187 LRHPNILRLY197 GYFHDATRVY207 LILEYAPLGT 217 VYRELQKLSK227 FDEQRTATYI237 TELANALSYC247 HSKRVIHRDI257 KPENLLLGSA 267 GELKIADFGW277 SVHAPSSRRL289 CGTLDYLPPE299 MIEGRMHDEK309 VDLWSLGVLC 319 YEFLVGKPPF329 EANTYQETYK339 RISRVEFTFP349 DFVTEGARDL359 ISRLLKHNPS 369 QRPMLREVLE379 HPWITANSSK389
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Redox priming promotes Aurora A activation during mitosis. Sci Signal. 2020 Jul 21;13(641):eabb6707. | ||||
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