Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T94788 | Target Info | |||
| Target Name | Branched-chain-amino-acid transaminase 2 (BCAT2) | ||||
| Synonyms | Placental protein 18; PP18; ECA39 protein; Branched-chain amino acid aminotransferase; BCAT2; BCAT(m); BCAT | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | BCAT2 | ||||
| Biochemical Class | Transaminase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Pyridoxamine-5'-Phosphate | Ligand Info | |||
| Canonical SMILES | CC1=NC=C(C(=C1O)CN)COP(=O)(O)O | ||||
| InChI | 1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14) | ||||
| InChIKey | ZMJGSOSNSPKHNH-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 1053 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5I5X X-RAY CRYSTAL STRUCTURE AT 1.65A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A THIAZOLE COMPOUND AND PMP COFACTOR. | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [1] |
| PDB Sequence |
SSFKAADLQL
12 EMTQKPHKKP22 GPLVFGKTFT35 DHMLMVEWND45 KGWGQPRIQP55 FQNLTLHPAS 65 SSLHYSLQLF75 EGMKAFKGKD85 QQVRLFRPWL95 NMDRMLRSAM105 RLCLPSFDKL 115 ELLECIRRLI125 EVDKDWVPDA135 AGTSLYVRPV145 LIGNEPSLGV155 SQPTRALLFV 165 ILCPVGAYFG177 SVTPVSLLAD187 PAFIRAWVGG197 VGNYKLGGNY207 GPTVLVQQEA 217 LKRGCEQVLW227 LYGPDHQLTE237 VGTMNIFVYW247 THEDGVLELV257 TPPLNGVILP 267 GVVRQSLLDM277 AQTWGEFRVV287 ERTITMKQLL297 RALEEGRVRE307 VFGSGTACQV 317 CPVHRILYKD327 RNLHIPTMEN337 GPELILRFQK347 ELKEIQYGIR357 AHEWMFPV |
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| PDB ID: 1KTA HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE : THREE DIMENSIONAL STRUCTURE OF THE ENZYME IN ITS PYRIDOXAMINE PHOSPHATE FORM. | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [2] |
| PDB Sequence |
ASSSFKAADL
10 QLEMTQKPHK20 KPGPGEPLVF30 GKTFTDHMLM40 VEWNDKGWGQ50 PRIQPFQNLT 60 LHPASSSLHY70 SLQLFEGMKA80 FKGKDQQVRL90 FRPWLNMDRM100 LRSAMRLCLP 110 SFDKLELLEC120 IRRLIEVDKD130 WVPDAAGTSL140 YVRPVLIGNE150 PSLGVSQPRR 160 ALLFVILCPV170 GAYFPGGSVT180 PVSLLADPAF190 IRAWVGGVGN200 YKLGGNYGPT 210 VLVQQEALKR220 GCEQVLWLYG230 PDHQLTEVGT240 MNIFVYWTHE250 DGVLELVTPP 260 LNGVILPGVV270 RQSLLDMAQT280 WGEFRVVERT290 ITMKQLLRAL300 EEGRVREVFG 310 SGTACQVCPV320 HRILYKDRNL330 HIPTMENGPE340 LILRFQKELK350 EIQYGIRAHE 360 WMFPV
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J Med Chem. 2016 Mar 24;59(6):2452-67. | ||||
| REF 2 | Crystal structures of human mitochondrial branched chain aminotransferase reaction intermediates: ketimine and pyridoxamine phosphate forms. Biochemistry. 2002 Oct 1;41(39):11592-601. | ||||
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