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 | Pyridoxal phosphate | Ligand Info | |||
| Canonical SMILES | CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O | ||||
| InChI | 1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14) | ||||
| InChIKey | NGVDGCNFYWLIFO-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 1051 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2BYL Structure of ornithine aminotransferase triple mutant Y85I Y55A G320F | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [1] |
| PDB Sequence |
GPPTSDDIFE
45 REYKYGAHNA55 HPLPVALERG65 KGIYLWDVEG75 RKYFDFLSSI85 SAVNQGHCHP 95 KIVNALKSQV105 DKLTLTSRAF115 YNNVLGEYEE125 YITKLFNYHK135 VLPMNTGVEA 145 GETACKLARK155 WGYTVKGIQK165 YKAKIVFAAG175 NFWGRTLSAI185 SSSTDPTSYD 195 GFGPFMPGFD205 IIPYNDLPAL215 ERALQDPNVA225 AFMVEPIQGE235 AGVVVPDPGY 245 LMGVRELCTR255 HQVLFIADEI265 QTGLARTGRW275 LAVDYENVRP285 DIVLLGKALS 295 GGLYPVSAVL305 CDDDIMLTIK315 PGEHFSTYGG325 NPLGCRVAIA335 ALEVLEEENL 345 AENADKLGII355 LRNELMKLPS365 DVVTAVRGKG375 LLNAIVIKET385 KDWDAWKVCL 395 RLRDNGLLAK405 PTHGDIIRFA415 PPLVIKEDEL425 RESIEIINKT435 ILSF |
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| PDB ID: 7T9Z Human Ornithine Aminotransferase (hOAT) crystallized at pH 6.0 | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [2] |
| 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 EHGSTYGGNP327 LGCRVAIAAL337 EVLEEENLAE 347 NADKLGIILR357 NELMKLPSDV367 VTAVRGKGLL377 NAIVIKETKD387 WDAWKVCLRL 397 RDNGLLAKPT407 HGDIIRFAPP417 LVIKEDELRE427 SIEIINKTIL437 SF |
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| PDB ID: 1OAT ORNITHINE AMINOTRANSFERASE | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [3] |
| PDB Sequence |
GPPTSDDIFE
45 REYKYGAHNY55 HPLPVALERG65 KGIYLWDVEG75 RKYFDFLSSY85 SAVNQGHCHP 95 KIVNALKSQV105 DKLTLTSRAF115 YNNVLGEYEE125 YITKLFNYHK135 VLPMNTGVEA 145 GETACKLARK155 WGYTVKGIQK165 YKAKIVFAAG175 NFWGRTLSAI185 SSSTDPTSYD 195 GFGPFMPGFD205 IIPYNDLPAL215 ERALQDPNVA225 AFMVEPIQGE235 AGVVVPDPGY 245 LMGVRELCTR255 HQVLFIADEI265 QTGLARTGRW275 LAVDYENVRP285 DIVLLGKALS 295 GGLYPVSAVL305 CDDDIMLTIK315 PGEHGSTYGG325 NPLGCRVAIA335 ALEVLEEENL 345 AENADKLGII355 LRNELMKLPS365 DVVTAVRGKG375 LLNAIVIKET385 KDWDAWKVCL 395 RLRDNGLLAK405 PTHGDIIRFA415 PPLVIKEDEL425 RESIEIINKT435 ILSF |
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| PDB ID: 2BYJ Ornithine aminotransferase mutant Y85I | ||||||
| Method | X-ray diffraction | Resolution | 3.02 Å | Mutation | Yes | [1] |
| PDB Sequence |
GPPTSDDIFE
45 REYKYGAHNY55 HPLPVALERG65 KGIYLWDVEG75 RKYFDFLSSI85 SAVNQGHCHP 95 KIVNALKSQV105 DKLTLTSRAF115 YNNVLGEYEE125 YITKLFNYHK135 VLPMNTGVEA 145 GETACKLARK155 WGYTVKGIQK165 YKAKIVFAAG175 NFWGRTLSAI185 SSSTDPTSYD 195 GFGPFMPGFD205 IIPYNDLPAL215 ERALQDPNVA225 AFMVEPIQGE235 AGVVVPDPGY 245 LMGVRELCTR255 HQVLFIADEI265 QTGLARTGRW275 LAVDYENVRP285 DIVLLGKALS 295 GGLYPVSAVL305 CDDDIMLTIK315 PGEHGSTYGG325 NPLGCRVAIA335 ALEVLEEENL 345 AENADKLGII355 LRNELMKLPS365 DVVTAVRGKG375 LLNAIVIKET385 KDWDAWKVCL 395 RLRDNGLLAK405 PTHGDIIRFA415 PPLVIKEDEL425 RESIEIINKT435 ILSF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:85 or .A:141 or .A:142 or .A:143 or .A:177 or .A:178 or .A:179 or .A:230 or .A:235 or .A:263 or .A:265 or .A:266 or .A:292; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 6HX7 Crystal structure of human R180T variant of ORNITHINE AMINOTRANSFERASE at 1.8 Angstrom | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [4] |
| PDB Sequence |
PTSDDIFERE
47 YKYGAHNYHP57 LPVALERGKG67 IYLWDVEGRK77 YFDFLSSYSA87 VNQGHCHPKI 97 VNALKSQVDK107 LTLTSRAFYN117 NVLGEYEEYI127 TKLFNYHKVL137 PMNTGVEAGE 147 TACKLARKWG157 YTVKGIQKYK167 AKIVFAAGNF177 WGTTLSAISS187 STDPTSYDGF 197 GPFMPGFDII207 PYNDLPALER217 ALQDPNVAAF227 MVEPIQGEAG237 VVVPDPGYLM 247 GVRELCTRHQ257 VLFIADEIQT267 GLARTGRWLA277 VDYENVRPDI287 VLLGKALSGG 297 LYPVSAVLCD307 DDIMLTIKPG317 EHGSTYGGNP327 LGCRVAIAAL337 EVLEEENLAE 347 NADKLGIILR357 NELMKLPSDV367 VTAVRGKGLL377 NAIVIDAWKV393 CLRLRDNGLL 403 AKPTDIIRFA415 PPLVIKEDEL425 RESIEIINKT435 ILSF
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:141 or .A:142 or .A:143 or .A:177 or .A:178 or .A:179 or .A:230 or .A:235 or .A:263 or .A:265 or .A:266 or .A:292; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 6OIA (1S,3S)-3-amino-4-(perfluoropropan-2-ylidene)cyclopentane-1-carboxylic acid hydrochloride, a potent inhibitor of ornithine aminotransferase | ||||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [5] |
| PDB Sequence |
GPPTSDDIFE
45 REYKYGAHNY55 HPLPVALERG65 KGIYLWDVEG75 RKYFDFLSSY85 SAVNQGHCHP 95 KIVNALKSQV105 DKLTLTSRAF115 YNNVLGEYEE125 YITKLFNYHK135 VLPMNTGVEA 145 GETACKLARK155 WGYTVKGIQK165 YKAKIVFAAG175 NFWGRTLSAI185 SSSTDPTSYD 195 GFGPFMPGFD205 IIPYNDLPAL215 ERALQDPNVA225 AFMVEPIQGE235 AGVVVPDPGY 245 LMGVRELCTR255 HQVLFIADEI265 QTGLARTGRW275 LAVDYENVRP285 DIVLLGKALS 295 GGLYPVSAVL305 CDDDIMLTIK315 PGEHGSTYGG325 NPLGCRVAIA335 ALEVLEEENL 345 AENADKLGII355 LRNELMKLPS365 DVVTAVRGKG375 LLNAIVIKET385 KDWDAWKVCL 395 RLRDNGLLAK405 PTHGDIIRFA415 PPLVIKEDEL425 RESIEIINKT435 ILSF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:141 or .A:142 or .A:143 or .A:177 or .A:178 or .A:179 or .A:230 or .A:263 or .A:265 or .A:266 or .A:292; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 6V8C Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [6] |
| PDB Sequence |
GPPTSDDIFE
45 REYKYGAHNY55 HPLPVALERG65 KGIYLWDVEG75 RKYFDFLSSY85 SAVNQGHCHP 95 KIVNALKSQV105 DKLTLTSRAF115 YNNVLGEYEE125 YITKLFNYHK135 VLPMNTGVEA 145 GETACKLARK155 WGYTVKGIQK165 YKAKIVFAAG175 NFWGRTLSAI185 SSSTDPTSYD 195 GFGPFMPGFD205 IIPYNDLPAL215 ERALQDPNVA225 AFMVEPIQGE235 AGVVVPDPGY 245 LMGVRELCTR255 HQVLFIADEI265 QTGLARTGRW275 LAVDYENVRP285 DIVLLGKALS 295 GGLYPVSAVL305 CDDDIMLTIK315 PGEHGSTYGG325 NPLGCRVAIA335 ALEVLEEENL 345 AENADKLGII355 LRNELMKLPS365 DVVTAVRGKG375 LLNAIVIKET385 KDWDAWKVCL 395 RLRDNGLLAK405 PTHGDIIRFA415 PPLVIKEDEL425 RESIEIINKT435 ILSF |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:141 or .A:142 or .A:143 or .A:144 or .A:177 or .A:178 or .A:179 or .A:230 or .A:263 or .A:265 or .A:266 or .A:292; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 6V8D Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [7] |
| 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 EHGSTYGGNP327 LGCRVAIAAL337 EVLEEENLAE 347 NADKLGIILR357 NELMKLPSDV367 VTAVRGKGLL377 NAIVIKETKD387 WDAWKVCLRL 397 RDNGLLAKPT407 HGDIIRFAPP417 LVIKEDELRE427 SIEIINKTIL437 SF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:141 or .A:142 or .A:143 or .A:177 or .A:178 or .A:179 or .A:230 or .A:235 or .A:263 or .A:265 or .A:266 or .A:292; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 7TFP Human Ornithine Aminotransferase cocrystallized with its inhibitor, (1S,3S)-3-amino-4-(difluoromethylene)cyclopentane-1-carboxylic acid. | ||||||
| Method | X-ray diffraction | Resolution | 2.71 Å | Mutation | No | [8] |
| 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 EHGSTYGGNP327 LGCRVAIAAL337 EVLEEENLAE 347 NADKLGIILR357 NELMKLPSDV367 VTAVRGKGLL377 NAIVIKETKD387 WDAWKVCLRL 397 RDNGLLAKPT407 HGDIIRFAPP417 LVIKEDELRE427 SIEIINKTIL437 SF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:141 or .A:142 or .A:143 or .A:177 or .A:178 or .A:179 or .A:230 or .A:263 or .A:265 or .A:266 or .A:292; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 1GBN HUMAN ORNITHINE AMINOTRANSFERASE COMPLEXED WITH THE NEUROTOXIN GABACULINE | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [9] |
| 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 EHGSTYGGNP327 LGCRVAIAAL337 EVLEEENLAE 347 NADKLGIILR357 NELMKLPSDV367 VTAVRGKGLL377 NAIVIKETKD387 WDAWKVCLRL 397 RDNGLLAKPT407 HGDIIRFAPP417 LVIKEDELRE427 SIEIINKTIL437 SF |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:141 or .A:142 or .A:143 or .A:144 or .A:177 or .A:178 or .A:179 or .A:180 or .A:230 or .A:234 or .A:235 or .A:263 or .A:265 or .A:266 or .A:292; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 2CAN HUMAN ORNITHINE AMINOTRANSFERASE COMPLEXED WITH L-CANALINE | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [9] |
| 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 EHGSTYGGNP327 LGCRVAIAAL337 EVLEEENLAE 347 NADKLGIILR357 NELMKLPSDV367 VTAVRGKGLL377 NAIVIKETKD387 WDAWKVCLRL 397 RDNGLLAKPT407 HGDIIRFAPP417 LVIKEDELRE427 SIEIINKTIL437 SF |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLP or .PLP2 or .PLP3 or :3PLP;style chemicals stick;color identity;select .A:141 or .A:142 or .A:143 or .A:144 or .A:177 or .A:178 or .A:179 or .A:230 or .A:234 or .A:235 or .A:263 or .A:265 or .A:266 or .A:292; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Determinants of substrate specificity in omega-aminotransferases. J Biol Chem. 2005 Oct 28;280(43):36409-16. | ||||
| REF 2 | Determination of the pH dependence, substrate specificity, and turnovers of alternative substrates for human ornithine aminotransferase. J Biol Chem. 2022 Jun;298(6):101969. | ||||
| REF 3 | Crystal structure of human recombinant ornithine aminotransferase. J Mol Biol. 1998 Mar 20;277(1):81-102. | ||||
| REF 4 | R180T variant of Delta-ornithine aminotransferase associated with gyrate atrophy: biochemical, computational, X-ray and NMR studies provide insight into its catalytic features. FEBS J. 2019 Jul;286(14):2787-2798. | ||||
| REF 5 | Mechanism of Inactivation of Ornithine Aminotransferase by (1S,3S)-3-Amino-4-(hexafluoropropan-2-ylidenyl)cyclopentane-1-carboxylic Acid. J Am Chem Soc. 2019 Jul 10;141(27):10711-10721. | ||||
| REF 6 | Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators | ||||
| REF 7 | Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators | ||||
| REF 8 | Rational Design, Synthesis, and Mechanism of (3S,4R)-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase. J Am Chem Soc. 2022 Mar 30;144(12):5629-5642. | ||||
| REF 9 | Human ornithine aminotransferase complexed with L-canaline and gabaculine: structural basis for substrate recognition. Structure. 1997 Aug 15;5(8):1067-75. | ||||
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