Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T96311 | Target Info | |||
| Target Name | NEDD8-activating enzyme E1C (UBA3) | ||||
| Synonyms | Ubiquitin-like modifier-activating enzyme 3; Ubiquitin-activating enzyme E1C; Ubiquitin-activating enzyme 3; UBE1C; NEDD8-activating enzyme E1 catalytic subunit | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | UBA3 | ||||
| Biochemical Class | Carbon-sulfur ligase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Adenosine triphosphate | Ligand Info | |||||
| Structure Description | Structure of APPBP1-UBA3~NEDD8-NEDD8-MgATP-Ubc12(C111A), a trapped ubiquitin-like protein activation complex | PDB:2NVU | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [1] |
| PDB Sequence |
KIEEGKLVIW
1011 INGDKGYNGL1021 AEVGKKFEKD1031 TGIKVTVEHP1041 DKLEEKFPQV1051 AATGDGPDII 1061 FWAHDRFGGY1071 AQSGLLAEIT1081 PDKAFQDKLY1091 PFTWDAVRYN1101 GKLIAYPIAV 1111 EALSLIYNKD1121 LLPNPPKTWE1131 EIPALDKELK1141 AKGKSALMFN1151 LQEPYFTWPL 1161 IAADGGYAFK1171 YENGKYDIKD1181 VGVDNAGAKA1191 GLTFLVDLIK1201 NKHMNADTDY 1211 SIAEAAFNKG1221 ETAMTINGPW1231 AWSNIDTSKV1241 NYGVTVLPTF1251 KGQPSKPFVG 1261 VLSAGINAAS1271 PNKELAKEFL1281 ENYLLTDEGL1291 EAVNKDKVAL1305 KSYEEEATME 1323 NAQKGEIMPN1333 IPQMSAFWYA1343 VRTAVINAAS1353 GRQTVDAALA1363 AAQTNAAADW 2013 EGRWNHVKKF2023 LERSGPFTHP2033 DFEPSTESLQ2043 FLLDTCKVLV2053 IGAGGLGCEL 2063 LKNLALSGFR2073 QIHVIDMDTI2083 DVSNLNRQFL2093 FRPKDIGRPK2103 AEVAAEFLND 2113 RVPNCNVVPH2123 FNKIQDFNDT2133 FYRQFHIIVC2143 GLDSIIARRW2153 INGMLISLLN 2163 YEDGVLDPSS2173 IVPLIDGGTE2183 GFKGNARVIL2193 PGMTACIECT2203 LELYPPQVNF 2213 PMCTIASMPR2223 LPEHCIEYVR2233 MLQWPKEQPF2243 GEGVPLDGDD2253 PEHIQWIFQK 2263 SLERASQYNI2273 RGVTYRLTQG2283 VVKRIIPAVA2293 STNAVIAAVC2303 ATEVFKIATS 2313 AYIPLNNYLV2323 FNDVDGLYTY2333 TFEAERKENC2343 PACSQLPQNI2353 QFSPSAKLQE 2363 VLDYLTNSAS2373 LQMKSPAITA2383 TLEGKNRTLY2393 LQSVTSIEER2403 TRPNLSKTLK 2413 ELGLVDGQEL2423 AVADVTTPQT2433 VLFKLHFTS
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GLY2055
4.142
ALA2056
3.078
GLY2057
2.955
GLY2058
4.269
ILE2078
4.538
ASP2079
2.751
MET2080
3.413
ASP2081
3.037
SER2086
4.151
ASN2087
3.259
ARG2090
3.305
GLN2091
3.674
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: MLN4924 | Ligand Info | |||||
| Structure Description | Structure of NEDD8-activating enzyme in complex with NEDD8 and MLN4924 | PDB:3GZN | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [2] |
| PDB Sequence |
DWEGRWNHVK
42 KFLERSGPFT52 HPDFEPSTES62 LQFLLDTCKV72 LVIGAGGLGC82 ELLKNLALSG 92 FRQIHVIDMD102 TIDVSNLNRQ112 FLFRPKDIGR122 PKAEVAAEFL132 NDRVPNCNVV 142 PHFNKIQDFN152 DTFYRQFHII162 VCGLDSIIAR172 RWINGMLISL182 LNYEDGVLDP 192 SSIVPLIDGG202 TEGFKGNARV212 ILPGMTACIE222 CTLELYPPQV232 NFPMCTIASM 242 PRLPEHCIEY252 VRMLQWPKEQ262 PFGEGVPLDG272 DDPEHIQWIF282 QKSLERASQY 292 NIRGVTYRLT302 QGVVKRIIPA312 VASTNAVIAA322 VCATEVFKIA332 TSAYIPLNNY 342 LVFNDVDGLY352 TYTFEAERKE362 NCPACSQLPQ372 NIQFSPSAKL382 QEVLDYLTNS 392 ASLQMKSPAI402 TATLEGKNRT412 LYLQSVTSIE422 ERTRPNLSKL433 KELGLVDGQE 443 LAVADVTTPQ453 TVLFKLHFT
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GLY76
3.873
ALA77
4.399
GLY78
3.259
GLY79
2.662
LEU80
4.521
ILE99
4.286
ASP100
2.703
MET101
3.406
ASP102
3.625
ARG111
3.696
GLN112
3.675
LYS124
3.027
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Basis for a ubiquitin-like protein thioester switch toggling E1-E2 affinity. Nature. 2007 Jan 25;445(7126):394-8. | ||||
| REF 2 | Substrate-assisted inhibition of ubiquitin-like protein-activating enzymes: the NEDD8 E1 inhibitor MLN4924 forms a NEDD8-AMP mimetic in situ. Mol Cell. 2010 Jan 15;37(1):102-11. | ||||
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