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 | Cysteinesulfonic Acid | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)N)S(=O)(=O)O | ||||
| InChI | 1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 | ||||
| InChIKey | XVOYSCVBGLVSOL-REOHCLBHSA-N | ||||
| PubChem Compound ID | 72886 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6PRX oxidized Human Branched Chain Aminotransferase mutant C318A | ||||||
| Method | X-ray diffraction | Resolution | 3.25 Å | Mutation | Yes | [1] |
| PDB Sequence |
SSFKAADLQL
12 EMTQKPHKKP22 GVFGKTFTDH37 MLMVEWNDKG47 WGQPRIQPFQ57 NLTLHPASSS 67 LHYSLQLFEG77 MKAFKGKDQQ87 VRLFRPWLNM97 DRMLRSAMRL107 LPSFDKLELL 118 ECIRRLIEVD128 KDWVPDAAGT138 SLYVRPVLIG148 NEPSLGVSQP158 RRALLFVILC 168 PVGSVTPVSL184 LADPAFIRAW194 VGGVGNYKLG204 GNYGPTVLVQ214 QEALKRGCEQ 224 VLWLYGPDHQ234 LTEVGTMNIF244 VYWTHEDGVL254 ELVTPPLNGV264 ILPGVVRQSL 274 LDMAQTWGEF284 RVVERTITMK294 QLLRALEEGR304 VREVFGSGTA314 QVAPVHRILY 325 KDRNLHIPTM335 ENGPELILRF345 QKELKEIQYG355 IRAHEWMFPV365 |
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|
|
LYS79
4.959
ALA104
3.054
MET105
3.551
ARG106
3.416
LEU107
1.341
LEU109
1.337
PRO110
4.335
GLN157
3.533
PRO158
3.557
SER178
3.276
|
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| PDB ID: 2HHF X-ray crystal structure of oxidized human mitochondrial branched chain aminotransferase (hBCATm) | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
> Chain A
ASSSFKAADL 10 QLEMTTFTDH37 MLMVEWNDKG47 WGQPRIQPFQ57 NLTLHPASSS67 LHYSLQLFEG 77 MKAFKGKDQQ87 VRLFRPWLNM97 DRMLRSAMRL107 LPSFDKLELL118 ECIRRLIEVD 128 KDWVPDAAGT138 SLVRPVLIGN149 EPSLGVSQPR159 RALLFVILCP169 VGAYFPGGSV 179 TPVSLLADPA189 FIRAWVGGVG199 NYKLGGNYGP209 TVLVQQEALK219 RGCEQVLWLY 229 GPDHQLTEVG239 TMNIFVYWTH249 EDGVLELVTP259 PLNGVILPGV269 VRQSLLDMAQ 279 TWGEFRVVER289 TITMKQLLRA299 LEEGRVREVF309 GSGTACQVCP319 VHRILYKDRN 329 LHIPTMENGP339 ELILRFQKEL349 KEIQYGIRAH359 EWMFPV> Chain B ASSSFKAADL 510 QLEMTQKPHK520 KPGPGEPLVF530 GKTFTDHMLM540 VEWNDKGWGQ550 PRIQPFQNLT 560 LHPASSSLHY570 SLQLFEGMKA580 FKGKDQQVRL590 FRPWLNMDRM600 LRSAMRLLPS 611 FDKLELLECI621 RRLIEVDKDW631 VPDAAGTSLY641 VRPVLIGNEP651 SLGVSQPRRA 661 LLFVILCPVG671 AYFPGGSVTP681 VSLLADPAFI691 RAWVGGVGNY701 KLGGNYGPTV 711 LVQQEALKRG721 CEQVLWLYGP731 DHQLTEVGTM741 NIFVYWTHED751 GVLELVTPPL 761 NGVILPGVVR771 QSLLDMAQTW781 GEFRVVERTI791 TMKQLLRALE801 EGRVREVFGS 811 GTACQVCPVH821 RILYKDRNLH831 IPTMENGPEL841 ILRFQKELKE851 IQYGIRAHEW 861 MFPV
|
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|
|
LEU72[A]
4.931
ALA104[A]
3.368
MET105[A]
3.093
ARG106[A]
4.129
LEU107[A]
1.396
LEU109[A]
1.467
PRO110[A]
4.454
GLN157[A]
2.977
VAL211[A]
3.383
LEU212[A]
3.226
GLN215[A]
3.664
VAL711[B]
3.651
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of an oxidized mutant of human mitochondrial branched-chain aminotransferase. Acta Crystallogr F Struct Biol Commun. 2020 Jan 1;76(Pt 1):14-19. | ||||
| REF 2 | Human mitochondrial branched chain aminotransferase isozyme: structural role of the CXXC center in catalysis. J Biol Chem. 2006 Dec 22;281(51):39660-71. | ||||
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