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 T61657 Target Info
Target Name Retinoic acid receptor beta (RARB)
Synonyms RAR-epsilon; RAR-beta; Nuclear receptor subfamily 1 group B member 2; NR1B2; HBV-activated protein; HAP
Target Type Successful Target
Gene Name RARB
Biochemical Class Nuclear hormone receptor
UniProt ID
RARB_HUMAN
Ligand General Information  Top
Ligand Name Tretinoin Ligand Info
Canonical SMILES CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
InChI 1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
InChIKey SHGAZHPCJJPHSC-YCNIQYBTSA-N
PubChem Compound ID 444795
Drug Binding Sites of Target  Top
PDB ID: 5UAN      Crystal structure of multi-domain RAR-beta-RXR-alpha heterodimer on DNA
Method X-ray diffraction Resolution 3.51 Å Mutation No [1]
PDB Sequence
PCFVCQDKSS
89
GYHYGVSACE
99
GCKGFFRRSI
109
QKNMIYTCHR
119
DKNCVINKVT
129

RNRCQYCRLQ
139
KCFEVGMSKE
149
SVRTAELDDL
180
TEKIRKAHQE
190
TFPSLCQLGK
200

YTTNSSADHR
210
VRLDLGLWDK
220
FSELATKCII
230
KIVEFAKRLP
240
GFTGLTIADQ
250

ITLLKAACLD
260
ILILRICTRY
270
TPEQDTMTFS
280
DGLTLNRTQM
290
HNAGFGPLTD
300

LVFTFANQLL
310
PLEMDDTETG
320
LLSAICLICG
330
DRQDLEEPTK
340
VDKLQEPLLE
350

ALKIYIRKRR
360
PSKPHMFPKI
370
LMKITDLRSI
380
SAKGAERVIT
390
LKMEIPGSMP
400

PLIQEMLE
Residue
Distance (Å)
PHE192
3.703
TRP218
4.067
PHE221
3.705
LEU224
3.803
ALA225
3.665
CYS228
3.139
ILE229
4.955
LEU259
3.948
LEU262
3.562
ILE263
3.601
ILE266
3.589
Residue
Distance (Å)
ARG269
4.887
PHE279
3.169
SER280
2.189
GLY294
3.468
PHE295
3.771
LEU298
3.717
GLY384
4.175
VAL388
3.844
LEU391
3.787
ILE403
4.115
LEU407
4.102
PDB ID: 4DM8      Crystal structure of RARb LBD in complex with 9cis retinoic acid
Method X-ray diffraction Resolution 2.30 Å Mutation No [2]
PDB Sequence
ESYEMTAELD
187
DLTEKIRKAH
197
QETFPSLCQL
207
GKYTTNSSAD
217
HRVRLDLGLW
227

DKFSELATKC
237
IIKIVEFAKR
247
LPGFTGLTIA
257
DQITLLKAAC
267
LDILILRICT
277

RYTPEQDTMT
287
FSDGLTLNRT
297
QMHNAGFGPL
307
TDLVFTFANQ
317
LLPLEMDDTE
327

TGLLSAICLI
337
CGDRQDLEEP
347
TKVDKLQEPL
357
LEALKIYIRK
367
RRPPHMFPKI
379

LMKITDLRSI
389
SAKGAERVIT
399
LKMEIPGSMP
409
PLIQEMLE
Residue
Distance (Å)
PHE201
3.435
TRP227
4.222
PHE230
3.693
LEU233
3.327
ALA234
3.546
CYS237
3.927
LYS240
4.954
LEU268
3.826
LEU271
3.529
ILE272
3.612
ILE275
4.059
ARG278
2.823
THR287
4.356
Residue
Distance (Å)
PHE288
3.611
SER289
2.626
GLY303
3.849
PHE304
4.097
LEU307
3.745
GLY393
4.151
ARG396
4.106
VAL397
4.389
LEU400
3.517
MET408
4.844
ILE412
3.823
LEU416
4.161
References  Top
REF 1 The quaternary architecture of RARbeta-RXRAlpha heterodimer facilitates domain-domain signal transmission. Nat Commun. 2017 Oct 11;8(1):868.
REF 2 Structural basis for a molecular allosteric control mechanism of cofactor binding to nuclear receptors. Proc Natl Acad Sci U S A. 2012 Mar 6;109(10):E588-94.

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