Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T52522 | Target Info | |||
| Target Name | Adrenergic receptor beta-2 (ADRB2) | ||||
| Synonyms | Beta-2 adrenoreceptor; Beta-2 adrenoceptor; Beta-2 adrenergic receptor; B2AR; ADRB2R | ||||
| Target Type | Successful Target | ||||
| Gene Name | ADRB2 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphatidylinositol 3,4,5-trsiphosphate | Ligand Info | |||
| Canonical SMILES | C(C(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O)O | ||||
| InChI | 1S/C9H22O20P4/c10-1-3(11)2-25-33(23,24)29-6-4(12)7(26-30(14,15)16)9(28-32(20,21)22)8(5(6)13)27-31(17,18)19/h3-13H,1-2H2,(H,23,24)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t3-,4+,5+,6?,7-,8+,9?/m1/s1 | ||||
| InChIKey | CRHDPZAVDVQYDP-YVOMHBNVSA-N | ||||
| PubChem Compound ID | 449092 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4LDE Structure of beta2 adrenoceptor bound to BI167107 and an engineered nanobody | ||||||
| Method | X-ray diffraction | Resolution | 2.79 Å | Mutation | Yes | [1] |
| PDB Sequence |
DAENLYFQGN
867 IFEMLRIDEG877 LRLKIYKDTE887 GYYTIGIGHL897 LTKSPSLNAA907 KSELDKAIGR 917 NTNGVITKDE927 AEKLFNQDVD937 AAVRGILRNA947 KLKPVYDSLD957 AVRRAALINM 967 VFQMGETGVA977 GFTNSLRMLQ987 QKRWDEAAVN997 LAKSRWYNQT1007 PNRAKRVITT 1017 FRTGTWDAYA1027 ADEVWVVGMG1037 IVMSLIVLAI1047 VFGNVLVITA1057 IAKFERLQTV 1067 TNYFITSLAC1077 ADLVMGLAVV1087 PFGAAHILTK1097 TWTFGNFWCE1107 FWTSIDVLCV 1117 TASIETLCVI1127 AVDRYFAITS1137 PFKYQSLLTK1147 NKARVIILMV1157 WIVSGLTSFL 1167 PIQMHWYRAT1177 HQEAINCYAE1187 ETCCDFFTNQ1197 AYAIASSIVS1207 FYVPLVIMVF 1217 VYSRVFQEAK1227 RQLQKFALKE1268 HKALKTLGII1278 MGTFTLCWLP1288 FFIVNIVHVI 1298 QDNLIRKEVY1308 ILLNWIGYVN1318 SGFNPLIYCR1328 SPDFRIAFQE1338 LLCL |
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| PDB ID: 4LDL Structure of beta2 adrenoceptor bound to hydroxybenzylisoproterenol and an engineered nanobody | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [1] |
| PDB Sequence |
DAENLYFQGN
867 IFEMLRIDEG877 LRLKIYKDTE887 GYYTIGIGHL897 LTKSPSLNAA907 KSELDKAIGR 917 NTNGVITKDE927 AEKLFNQDVD937 AAVRGILRNA947 KLKPVYDSLD957 AVRRAALINM 967 VFQMGETGVA977 GFTNSLRMLQ987 QKRWDEAAVN997 LAKSRWYNQT1007 PNRAKRVITT 1017 FRTGTWDAYA1027 ADEVWVVGMG1037 IVMSLIVLAI1047 VFGNVLVITA1057 IAKFERLQTV 1067 TNYFITSLAC1077 ADLVMGLAVV1087 PFGAAHILTK1097 TWTFGNFWCE1107 FWTSIDVLCV 1117 TASIETLCVI1127 AVDRYFAITS1137 PFKYQSLLTK1147 NKARVIILMV1157 WIVSGLTSFL 1167 PIQMHWYRAT1177 HQEAINCYAE1187 ETCCDFFTNQ1197 AYAIASSIVS1207 FYVPLVIMVF 1217 VYSRVFQEAK1227 RQLQKFALKE1268 HKALKTLGII1278 MGTFTLCWLP1288 FFIVNIVHVI 1298 QDNLIRKEVY1308 ILLNWIGYVN1318 SGFNPLIYCR1328 SPDFRIAFQE1338 LLCL |
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| PDB ID: 4LDO Structure of beta2 adrenoceptor bound to adrenaline and an engineered nanobody | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | Yes | [1] |
| PDB Sequence |
DAENLYFQGN
867 IFEMLRIDEG877 LRLKIYKDTE887 GYYTIGIGHL897 LTKSPSLNAA907 KSELDKAIGR 917 NTNGVITKDE927 AEKLFNQDVD937 AAVRGILRNA947 KLKPVYDSLD957 AVRRAALINM 967 VFQMGETGVA977 GFTNSLRMLQ987 QKRWDEAAVN997 LAKSRWYNQT1007 PNRAKRVITT 1017 FRTGTWDAYA1027 ADEVWVVGMG1037 IVMSLIVLAI1047 VFGNVLVITA1057 IAKFERLQTV 1067 TNYFITSLAC1077 ADLVMGLAVV1087 PFGAAHILTK1097 TWTFGNFWCE1107 FWTSIDVLCV 1117 TASIETLCVI1127 AVDRYFAITS1137 PFKYQSLLTK1147 NKARVIILMV1157 WIVSGLTSFL 1167 PIQMHWYRAT1177 HQEAINCYAE1187 ETCCDFFTNQ1197 AYAIASSIVS1207 FYVPLVIMVF 1217 VYSRVFQEAK1227 RQLQKFALKE1268 HKALKTLGII1278 MGTFTLCWLP1288 FFIVNIVHVI 1298 QDNLIRKEVY1308 ILLNWIGYVN1318 SGFNPLIYCR1328 SPDFRIAFQE1338 LLCL |
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| PDB ID: 6N48 Structure of beta2 adrenergic receptor bound to BI167107, Nanobody 6B9, and a positive allosteric modulator | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | Yes | [2] |
| PDB Sequence |
DAENLYFQGN
867 IFEMLRIDEG877 LRLKIYKDTE887 GYYTIGIGHL897 LTKSPSLNAA907 KSELDKAIGR 917 NTNGVITKDE927 AEKLFNQDVD937 AAVRGILRNA947 KLKPVYDSLD957 AVRRAALINM 967 VFQMGETGVA977 GFTNSLRMLQ987 QKRWDEAAVN997 LAKSRWYNQT1007 PNRAKRVITT 1017 FRTGTWDAYA1027 ADEVWVVGMG1037 IVMSLIVLAI1047 VFGNVLVITA1057 IAKFERLQTV 1067 TNYFITSLAC1077 ADLVMGLAVV1087 PFGAAHILTK1097 TWTFGNFWCE1107 FWTSIDVLCV 1117 TASIETLCVI1127 AVDRYFAITS1137 PFKYQSLLTK1147 NKARVIILMV1157 WIVSGLTSFL 1167 PIQMHWYRAT1177 HQEAINCYAE1187 ETCCDFFTNQ1197 AYAIASSIVS1207 FYVPLVIMVF 1217 VYSRVFQEAK1227 RQLQKFALKE1268 HKALKTLGII1278 MGTFTLCWLP1288 FFIVNIVHVI 1298 QDNLIRKEVY1308 ILLNWIGYVN1318 SGFNPLIYCR1328 SPDFRIAFQE1338 LLCL |
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Adrenaline-activated structure of beta2-adrenoceptor stabilized by an engineered nanobody. Nature. 2013 Oct 24;502(7472):575-579. | ||||
| REF 2 | Mechanism of beta(2)AR regulation by an intracellular positive allosteric modulator. Science. 2019 Jun 28;364(6447):1283-1287. | ||||
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