Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T62073 | Target Info | |||
| Target Name | Ornithine delta-aminotransferase (OAT) | ||||
| Synonyms | Ornithine--oxo-acid aminotransferase; Ornithine aminotransferase, mitochondrial | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | OAT | ||||
| Biochemical Class | Transaminase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | (2S,3R)-2-azaniumyl-3-hydroxybutanoate | Ligand Info | |||
| Canonical SMILES | CC(C(C(=O)[O-])[NH3+])O | ||||
| InChI | 1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1 | ||||
| InChIKey | AYFVYJQAPQTCCC-GBXIJSLDSA-N | ||||
| PubChem Compound ID | 6971019 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7LON Ornithine Aminotransferase (OAT) cocrystallized with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclohexene-1-carboxylic acid | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [1] |
| PDB Sequence |
PTSDDIFERE
47 YKYGAHNYHP57 LPVALERGKG67 IYLWDVEGRK77 YFDFLSSYSA87 VNQGHCHPKI 97 VNALKSQVDK107 LTLTSRAFYN117 NVLGEYEEYI127 TKLFNYHKVL137 PMNTGVEAGE 147 TACKLARKWG157 YTVKGIQKYK167 AKIVFAAGNF177 WGRTLSAISS187 STDPTSYDGF 197 GPFMPGFDII207 PYNDLPALER217 ALQDPNVAAF227 MVEPIQGEAG237 VVVPDPGYLM 247 GVRELCTRHQ257 VLFIADEIQT267 GLARTGRWLA277 VDYENVRPDI287 VLLGKALSGG 297 LYPVSAVLCD307 DDIMLTIKPG317 EHGSYGGNPL328 GCRVAIAALE338 VLEEENLAEN 348 ADKLGIILRN358 ELMKLPSDVV368 TAVRGKGLLN378 AIVIKETKDW388 DAWKVCLRLR 398 DNGLLAKPTH408 GDIIRFAPPL418 VIKEDELRES428 IEIINKTILS438 F |
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| PDB ID: 7LOM Ornithine Aminotransferase (OAT) soaked with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclohexene-1-carboxylic acid | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
PPTSDDIFER
46 EYKYGAHNYH56 PLPVALERGK66 GIYLWDVEGR76 KYFDFLSSYS86 AVNQGHCHPK 96 IVNALKSQVD106 KLTLTSRAFY116 NNVLGEYEEY126 ITKLFNYHKV136 LPMNTGVEAG 146 ETACKLARKW156 GYTVKGIQKY166 KAKIVFAAGN176 FWGRTLSAIS186 SSTDPTSYDG 196 FGPFMPGFDI206 IPYNDLPALE216 RALQDPNVAA226 FMVEPIQGEA236 GVVVPDPGYL 246 MGVRELCTRH256 QVLFIADEIQ266 TGLARTGRWL276 AVDYENVRPD286 IVLLGKALSG 296 GLYPVSAVLC306 DDDIMLTIKP316 GEHGSYGGNP327 LGCRVAIAAL337 EVLEEENLAE 347 NADKLGIILR357 NELMKLPSDV367 VTAVRGKGLL377 NAIVIKETKD387 WDAWKVCLRL 397 RDNGLLAKPT407 HGDIIRFAPP417 LVIKEDELRE427 SIEIINKTIL437 SF |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Remarkable and Unexpected Mechanism for (S)-3-Amino-4-(difluoromethylenyl)cyclohex-1-ene-1-carboxylic Acid as a Selective Inactivator of Human Ornithine Aminotransferase. J Am Chem Soc. 2021 Jun 2;143(21):8193-8207. | ||||
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