Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T79591 Target Info
Target Name Thyroid hormone receptor alpha (THRA)
Synonyms V-erbA-related protein 7; THRA2; THRA1; Nuclear receptor subfamily 1 group A member 1; NR1A1; ERBA1; EAR7; EAR-7; C-erbA-alpha; C-erbA-1
Target Type Successful Target
Gene Name THRA
Biochemical Class Nuclear hormone receptor
UniProt ID
THA_HUMAN
Ligand General Information  Top
Ligand Name B7-2/GM-CSF Ligand Info
Canonical SMILES CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCC(=O)O
InChI 1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
InChIKey QNAZTOHXCZPOSA-UHFFFAOYSA-N
PubChem Compound ID 9862248
Drug Binding Sites of Target  Top
PDB ID: 3HZF      Structure of TR-alfa bound to selective thyromimetic GC-1 in C2 space group
Method X-ray diffraction Resolution 2.50 Å Mutation No [1]
PDB Sequence
SHMEEMIRSL
154
QQRPEPTPEE
164
WDLIHIATEA
174
HRSTNAQGSH
184
WKQRRKFLPD
194

DIGQSPIVSM
204
PDGDKVDLEA
214
FSEFTKIITP
224
AITRVVDFAK
234
KLPMFSELPE
245

DQIILLKGCC
255
MEIMSLRAAV
265
RYDPESDTLT
275
LSGEMAVKRE
285
QLKNGGLGVV
295

SDAIFELGKS
305
LSAFNLDDTE
315
VALLQAVLLM
325
STDRSGLLVD
336
KIEKSQEAYL
346

LAFEHYVNHR
356
KHNIPHFWPK
366
LLMKVTDLRM
376
IGAHASRFLH
387
MKVEPTELFP
398

PLFLEVFED
Residue
Distance (Å)
PHE215
3.782
PHE218
3.801
THR219
3.866
ILE221
4.037
ILE222
3.691
ALA225
3.612
ARG228
3.589
MET256
3.645
MET259
3.275
SER260
4.197
ARG262
3.752
ALA263
4.074
ARG266
4.886
THR275
4.460
Residue
Distance (Å)
LEU276
3.476
SER277
2.898
GLY278
3.704
LEU287
3.927
GLY290
3.339
GLY291
3.612
LEU292
3.518
ILE299
3.905
HIS381
2.649
PHE385
4.704
MET388
3.855
PHE401
3.141
PHE405
4.843
PDB ID: 3ILZ      Structure of TR-alfa bound to selective thyromimetic GC-1 in P212121 space group
Method X-ray diffraction Resolution 1.85 Å Mutation No [1]
PDB Sequence
GSHMEEMIRS
153
LQQRPEPTPE
163
EWDLIHIATE
173
AHRSTNAQGS
183
HWKQRRKFLP
193

DDIGQSPIVS
203
MPDGDKVDLE
213
AFSEFTKIIT
223
PAITRVVDFA
233
KKLPMFSELP
243

EDQIILLKGC
254
CMEIMSLRAA
264
VRYDPESDTL
274
TLSGEMAVKR
284
EQLKNGGLGV
294

VSDAIFELGK
304
SLSAFNLDDT
314
EVALLQAVLL
324
MSTDRSGLLV
335
DKIEKSQEAY
345

LLAFEHYVNH
355
RKHNIPHFWP
365
KLLMKVTDLR
375
MIGAHASRFL
386
HMKVEPTELF
397

PPLFLEVFED
407
QEV
Residue
Distance (Å)
PHE215
3.809
PHE218
3.681
THR219
3.742
ILE221
4.250
ILE222
3.606
ALA225
3.123
ARG228
4.726
MET256
3.638
MET259
3.406
SER260
4.279
ARG262
3.379
ALA263
4.106
ARG266
3.364
THR275
4.823
Residue
Distance (Å)
LEU276
3.631
SER277
2.975
GLY278
4.158
LEU287
3.825
GLY290
3.429
GLY291
3.700
LEU292
3.742
ILE299
3.828
HIS381
2.714
PHE385
4.556
MET388
3.886
PHE401
3.233
PHE405
4.775
References  Top
REF 1 Structural basis of GC-1 selectivity for thyroid hormone receptor isoforms. BMC Struct Biol. 2008 Jan 31;8:8.

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