Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T15514 | Target Info | |||
| Target Name | Hepatocyte nuclear factor 4-alpha (HNF4A) | ||||
| Synonyms | Transcription factor HNF-4; Transcription factor 14; TCF14; TCF-14; Nuclear receptor subfamily 2 group A member 1; NR2A1; HNF4; HNF-4-alpha | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | HNF4A | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Myristic acid | Ligand Info | |||
| Canonical SMILES | CCCCCCCCCCCCCC(=O)O | ||||
| InChI | 1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) | ||||
| InChIKey | TUNFSRHWOTWDNC-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 11005 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4IQR Multi-Domain Organization of the HNF4alpha Nuclear Receptor Complex on DNA | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [1] |
| PDB Sequence |
ALCAICGDRA
58 TGKHYGASSC68 DGCKGFFRRS78 VRKNHMYSCR88 FSRQCVVDKD98 KRNQCRYCRL 108 KKCFRAGMKK118 EAVQNEINAL146 LQAEVLSRQI156 TSPVSGINGD166 IRAKKIASIA 176 DVCESMKEQL186 LVLVEWAKYI196 PAFCELPLDD206 QVALLRAHAG216 EHLLLGATKR 226 SMVFKDVLLL236 GNDYIVPRHC246 PELAEMSRVS256 IRILDELVLP266 FQELQIDDNE 276 YAYLKAIIFF286 DPDAKGLSDP296 GKIKRLRSQV306 QVSLEDYIND316 RQYDSRGRFG 326 ELLLLLPTLQ336 SITWQMIEQI346 QFIKLFGMAK356 IDNLLQEMLL366 GG |
|||||
|
|
VAL178
3.711
SER181
2.769
MET182
3.996
GLN185
3.506
LEU219
3.748
LEU220
4.583
GLY222
4.808
ALA223
3.728
ARG226
2.776
LEU234
4.446
LEU235
4.657
|
|||||
| PDB ID: 1PZL Crystal structure of HNF4a LBD in complex with the ligand and the coactivator SRC-1 peptide | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [2] |
| PDB Sequence |
LASLPSINAL
146 LQAEVLSRQI156 TNGDIRAKKI172 ASIADVCESM182 KEQLLVLVEW192 AKYIPAFCEL 202 PLDDQVALLR212 AHAGEHLLLG222 ATKRSMVFKD232 VLLLGNDYIV242 PRHCPELAEM 252 SRVSIRILDE262 LVLPFQELQI272 DDNEYAYLKA282 IIFFDPDAKG292 LSDPGKIKRL 302 RSQVQVSLED312 YINDRQYDSR322 GRFGELLLLL332 PTLQSITWQM342 IEQIQFIKLF 352 GMAKIDNLLQ362 EMLLGGS
|
|||||
|
|
VAL178
3.896
SER181
2.488
MET182
3.837
GLN185
3.560
LEU219
3.841
LEU220
4.035
GLY222
4.574
ALA223
3.586
ARG226
2.396
LEU234
3.954
LEU235
4.986
LEU236
3.601
|
|||||
| PDB ID: 3FS1 Crystal structure of HNF4a LBD in complex with the ligand and the coactivator PGC-1a fragment | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [3] |
| PDB Sequence |
SLPSINALLQ
148 AEVLSRQITS158 PVSGINGDIR168 AKKIASIADV178 CESMKEQLLV188 LVEWAKYIPA 198 FCELPLDDQV208 ALLRAHAGEH218 LLLGATKRSM228 VFKDVLLLGN238 DYIVPRHCPE 248 LAEMSRVSIR258 ILDELVLPFQ268 ELQIDDNEYA278 YLKAIIFFDP288 DAKGLSDPGK 298 IKRLRSQVQV308 SLEDYINDRQ318 YDSRGRFGEL328 LLLLPTLQSI338 TWQMIEQIQF 348 IKLFGMAKID358 NLLQEMLLGG368
|
|||||
|
|
VAL178
4.289
SER181
2.637
MET182
3.867
GLN185
3.620
LEU219
3.940
LEU220
3.928
GLY222
4.518
ALA223
3.529
ARG226
2.554
LEU234
4.159
LEU235
4.862
LEU236
3.416
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Multidomain integration in the structure of the HNF-4Alpha nuclear receptor complex. Nature. 2013 Mar 21;495(7441):394-8. | ||||
| REF 2 | Structural basis for HNF-4alpha activation by ligand and coactivator binding. J Biol Chem. 2004 May 28;279(22):23311-6. | ||||
| REF 3 | Multiple binding modes between HNF4alpha and the LXXLL motifs of PGC-1alpha lead to full activation. J Biol Chem. 2009 Dec 11;284(50):35165-76. | ||||
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