Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T82146 | Target Info | |||
| Target Name | Retinoic acid receptor gamma (RARG) | ||||
| Synonyms | RAR-gamma; Nuclear receptor subfamily 1 group B member 3; NR1B3 | ||||
| Target Type | Successful Target | ||||
| Gene Name | RARG | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Dodecyl-Alpha-D-Maltoside | Ligand Info | |||
| Canonical SMILES | CCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O | ||||
| InChI | 1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23+,24-/m1/s1 | ||||
| InChIKey | NLEBIOOXCVAHBD-YHBSTRCHSA-N | ||||
| PubChem Compound ID | 445456 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5M24 RARg mutant-S371E | ||||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | Yes | [1] |
| PDB Sequence |
LSPQLEELIT
191 KVSKAHQETF201 PSLCQLGKYT211 TNSSADHRVQ221 LDLGLWDKFS231 ELATKCIIKI 241 VEFAKRLPGF251 TGLSIADQIT261 LLKAACLDIL271 MLRICTRYTP281 EQDTMTFSDG 291 LTLNRTQMHN301 AGFGPLTDLV311 FAFAGQLLPL321 EMDDTETGLL331 SAICLICGDR 341 MDLEEPEKVD351 KLQEPLLEAL361 RLYARRRRPE371 QPYMFPRMLM381 KITDLRGIST 391 KGAERAITLK401 MEIPGPMPPL411 IREMLE
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| PDB ID: 1EXA ENANTIOMER DISCRIMINATION ILLUSTRATED BY CRYSTAL STRUCTURES OF THE HUMAN RETINOIC ACID RECEPTOR HRARGAMMA LIGAND BINDING DOMAIN: THE COMPLEX WITH THE ACTIVE R-ENANTIOMER BMS270394. | ||||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [2] |
| PDB Sequence |
LSPQLEELIT
191 KVSKAHQETF201 PSLCQLGKYT211 TNSSADHRVQ221 LDLGLWDKFS231 ELATKCIIKI 241 VEFAKRLPGF251 TGLSIADQIT261 LLKAACLDIL271 MLRICTRYTP281 EQDTMTFSDG 291 LTLNRTQMHN301 AGFGPLTDLV311 FAFAGQLLPL321 EMDDTETGLL331 SAICLICGDR 341 MDLEEPEKVD351 KLQEPLLEAL361 RLYARRRRPS371 QPYMFPRMLM381 KITDLRGIST 391 KGAERAITLK401 MEIPGPMPPL411 IREMLE
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| PDB ID: 1EXX ENANTIOMER DISCRIMINATION ILLUSTRATED BY CRYSTAL STRUCTURES OF THE HUMAN RETINOIC ACID RECEPTOR HRARGAMMA LIGAND BINDING DOMAIN: THE COMPLEX WITH THE INACTIVE S-ENANTIOMER BMS270395. | ||||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [2] |
| PDB Sequence |
LSPQLEELIT
191 KVSKAHQETF201 PSLCQLGKYT211 TNSSADHRVQ221 LDLGLWDKFS231 ELATKCIIKI 241 VEFAKRLPGF251 TGLSIADQIT261 LLKAACLDIL271 MLRICTRYTP281 EQDTMTFSDG 291 LTLNRTQMHN301 AGFGPLTDLV311 FAFAGQLLPL321 EMDDTETGLL331 SAICLICGDR 341 MDLEEPEKVD351 KLQEPLLEAL361 RLYARRRRPS371 QPYMFPRMLM381 KITDLRGIST 391 KGAERAITLK401 MEIPGPMPPL411 IREMLE
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| PDB ID: 1FCY ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARBETA/GAMMA-SELECTIVE RETINOID CD564 | ||||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [3] |
| PDB Sequence |
ASPQLEELIT
191 KVSKAHQETF201 PSLCQLGKYT211 TNSSADHRVQ221 LDLGLWDKFS231 ELATKCIIKI 241 VEFAKRLPGF251 TGLSIADQIT261 LLKAACLDIL271 MLRICTRYTP281 EQDTMTFSDG 291 LTLNRTQMHN301 AGFGPLTDLV311 FAFAGQLLPL321 EMDDTETGLL331 SAICLICGDR 341 MDLEEPEKVD351 KLQEPLLEAL361 RLYARRRRPS371 QPYMFPRMLM381 KITDLRGIST 391 KGAERAITLK401 MEIPGPMPPL411 IREMLE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LMU or .LMU2 or .LMU3 or :3LMU;style chemicals stick;color identity;select .A:236 or .A:238 or .A:239 or .A:240 or .A:242 or .A:243 or .A:260 or .A:263 or .A:264 or .A:267 or .A:411 or .A:414 or .A:415; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1FCZ ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE PANAGONIST RETINOID BMS181156 | ||||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | No | [3] |
| PDB Sequence |
SPQLEELITK
192 VSKAHQETFP202 SLCQLGKYTT212 NSSADHRVQL222 DLGLWDKFSE232 LATKCIIKIV 242 EFAKRLPGFT252 GLSIADQITL262 LKAACLDILM272 LRICTRYTPE282 QDTMTFSDGL 292 TLNRTQMHNA302 GFGPLTDLVF312 AFAGQLLPLE322 MDDTETGLLS332 AICLICGDRM 342 DLEEPEKVDK352 LQEPLLEALR362 LYARRRRPSQ372 PYMFPRMLMK382 ITDLRGISTK 392 GAERAITLKM402 EIPGPMPPLI412 REMLE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LMU or .LMU2 or .LMU3 or :3LMU;style chemicals stick;color identity;select .A:236 or .A:238 or .A:239 or .A:240 or .A:242 or .A:243 or .A:260 or .A:263 or .A:264 or .A:267 or .A:411 or .A:414 or .A:415; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1FD0 ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID SR11254 | ||||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | No | [4] |
| PDB Sequence |
SPQLEELITK
192 VSKAHQETFP202 SLCQLGKYTT212 NSSADHRVQL222 DLGLWDKFSE232 LATKCIIKIV 242 EFAKRLPGFT252 GLSIADQITL262 LKAACLDILM272 LRICTRYTPE282 QDTMTFSDGL 292 TLNRTQMHNA302 GFGPLTDLVF312 AFAGQLLPLE322 MDDTETGLLS332 AICLICGDRM 342 DLEEPEKVDK352 LQEPLLEALR362 LYARRRRPSQ372 PYMFPRMLMK382 ITDLRGISTK 392 GAERAITLKM402 EIPGPMPPLI412 REMLE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LMU or .LMU2 or .LMU3 or :3LMU;style chemicals stick;color identity;select .A:236 or .A:238 or .A:239 or .A:240 or .A:242 or .A:243 or .A:260 or .A:263 or .A:264 or .A:267 or .A:411 or .A:414 or .A:415; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 1FCX ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID BMS184394 | ||||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | No | [3] |
| PDB Sequence |
SPQLEELITK
192 VSKAHQETFP202 SLCQLGKYTT212 NSSADHRVQL222 DLGLWDKFSE232 LATKCIIKIV 242 EFAKRLPGFT252 GLSIADQITL262 LKAACLDILM272 LRICTRYTPE282 QDTMTFSDGL 292 TLNRTQMHNA302 GFGPLTDLVF312 AFAGQLLPLE322 MDDTETGLLS332 AICLICGDRM 342 DLEEPEKVDK352 LQEPLLEALR362 LYARRRRPSQ372 PYMFPRMLMK382 ITDLRGISTK 392 GAERAITLKM402 EIPGPMPPLI412 REMLE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LMU or .LMU2 or .LMU3 or :3LMU;style chemicals stick;color identity;select .A:236 or .A:238 or .A:239 or .A:240 or .A:242 or .A:243 or .A:260 or .A:263 or .A:264 or .A:267 or .A:411 or .A:414 or .A:415; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Allosteric Regulation in the Ligand Binding Domain of Retinoic Acid ReceptorGamma. PLoS One. 2017 Jan 26;12(1):e0171043. | ||||
| REF 2 | Enantiomer discrimination illustrated by high-resolution crystal structures of the human nuclear receptor hRARgamma. Proc Natl Acad Sci U S A. 2000 Jun 6;97(12):6322-7. | ||||
| REF 3 | Structural basis for isotype selectivity of the human retinoic acid nuclear receptor. J Mol Biol. 2000 Sep 8;302(1):155-70. | ||||
| REF 4 | C-H...O hydrogen bonds in the nuclear receptor RARgamma--a potential tool for drug selectivity. Structure. 2002 Sep;10(9):1197-204. | ||||
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