Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T82668 | Target Info | |||
| Target Name | Kynurenine oxoglutarate transaminase II (AADAT) | ||||
| Synonyms | Kynurenineoxoglutarate transaminase II; Kynurenineoxoglutarate transaminase 2; Kynurenineoxoglutarate aminotransferase II; Kynurenine/alphaaminoadipate aminotransferase, mitochondrial; Kynurenine aminotransferase II; KAT/AadAT; Alphaaminoadipate aminotransferase; AadAT; 2aminoadipate transaminase; 2aminoadipate aminotransferase | ||||
| Target Type | Preclinical Target | ||||
| Gene Name | AADAT | ||||
| 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: 2XH1 Crystal structure of human KAT II-inhibitor complex | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [1] |
| PDB Sequence |
ENYARFITAA
10 SAARNPSPIM33 ISLAGGLPNP43 NMFPFKTAVI53 TVENGKTIQF63 GEEMMKRALQ 73 YSPSAGIPEL83 LSWLKQLQIK93 LHNPPTIHYP103 PSQGQMDLCV113 TSGSQQGLCK 123 VFEMIINPGD133 NVLLDEPAYS143 GTLQSLHPLG153 CNIINVASDE163 SGIVPDSLRD 173 ILSRWKPEDA183 KNPQKNTPKF193 LYTVPNGNNP203 TGNSLTSERK213 KEIYELARKY 223 DFLIIEDDPY233 YFLQFNKFRV243 PTFLSMDVDG253 RVIRADSFSK263 IISSGLRIGF 273 LTGPKPLIER283 VILHIQVSTL293 HPSTFNQLMI303 SQLLHEWGEE313 GFMAHVDRVI 323 DFYSNQKDAI333 LAAADKWLTG343 LAEWHVPAAG353 MFLWIKVKGI363 NDVKELIEEK 373 AVKMGVLMLP383 GNAFYVDSSA393 PSPYLRASFS403 SASPEQMDVA413 FQVLAQLIKE 423 SL
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| PDB ID: 2VGZ CRYSTAL STRUCTURE OF HUMAN KYNURENINE AMINOTRANSFERASE II | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
MLENYARFIT
8 AASAARNPSP18 SMISLAGGLP41 NPNMFPFKTA51 VITVENGKTI61 QFGEEMMKRA 71 LQYSPSAGIP81 ELLSWLKQLQ91 IKLHNPPTIH101 YPPSQGQMDL111 CVTSGSQQGL 121 CKVFEMIINP131 GDNVLLDEPA141 YSGTLQSLHP151 LGCNIINVAS161 DESGIVPDSL 171 RDILSRWKPE181 DAKNPQKNTP191 KFLYTVPNGN201 NPTGNSLTSE211 RKKEIYELAR 221 KYDFLIIEDD231 PYYFLQFNKF241 RVPTFLSMDV251 DGRVIRADSF261 SKIISSGLRI 271 GFLTGPKPLI281 ERVILHIQVS291 TLHPSTFNQL301 MISQLLHEWG311 EEGFMAHVDR 321 VIDFYSNQKD331 AILAAADKWL341 TGLAEWHVPA351 AGMFLWIKVK361 GINDVKELIE 371 EKAVKMGVLM381 LPGNAFYVDS391 SAPSPYLRAS401 FSSASPEQMD411 VAFQVLAQLI 421 KESL
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure-based selective targeting of the pyridoxal 5'-phosphate dependent enzyme kynurenine aminotransferase II for cognitive enhancement. J Med Chem. 2010 Aug 12;53(15):5684-9. | ||||
| REF 2 | Crystal structure of human kynurenine aminotransferase II, a drug target for the treatment of schizophrenia. J Biol Chem. 2008 Feb 8;283(6):3559-3566. | ||||
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