Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T98278 | Target Info | |||
| Target Name | HUMAN type-1 angiotensin II receptor (AGTR1) | ||||
| Synonyms | Type-1 angiotensin II receptor; Angiotensin II type-1 receptor; Angiotensin II receptor 1; Angiotensin 1 receptor; AT2R1B; AT2R1; AT1BR; AT1AR; AT1; AGTR1B; AGTR1A | ||||
| Gene Name | AGTR1 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: ZD-7155 | Ligand Info | |||||
| Structure Description | XFEL structure of human Angiotensin Receptor | PDB:4YAY | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | Yes | [1] |
| PDB Sequence |
DLEDNWETLN
1011 DNLKVIEKAD1021 NAAQVKDALT1031 KMRAAALDAQ1041 KATPPKLEDK1051 SPDSPEMKDF 1061 RHGFDILVGQ1071 IDDALKLANE1081 GKVKEAQAAA1091 EQLKTTRNAY1101 IQKYLILNSS 16 DCPKAGRHNY26 IFVMIPTLYS36 IIFVVGIFGN46 SLVVIVIYFY56 MKLKTVASVF 66 LLNLALADLC76 FLLTLPLWAV86 YTAMEYRWPF96 GNYLCKIASA106 SVSFNLYASV 116 FLLTCLSIDR126 YLAIVHPMKS136 RLRRTMLVAK146 VTCIIIWLLA156 GLASLPAIIH 166 RNVFFIITVC180 AFHYETLPIG194 LGLTKNILGF204 LFPFLIILTS214 YTLIWKALKK 224 NDDIFKIIMA244 IVLFFFFSWI254 PHQIFTFLDV264 LIQLGIIRDC274 RIADIVDTAM 284 PITICIAYFN294 NCLNPLFYGF304 LGKKFKRYFL314 QLL
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ILE31
4.353
TYR35
2.990
PHE77
3.956
LEU81
4.533
TRP84
3.484
TYR87
4.014
THR88
3.264
TYR92
4.774
ALA104
4.937
SER105
3.110
VAL108
3.679
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| Ligand Name: Cholesterol | Ligand Info | |||||
| Structure Description | Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to TRV026 | PDB:6OS2 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [2] |
| PDB Sequence |
IKRIQDDCPK
20 AGRHNYIFVM30 IPTLYSIIFV40 VGIFGNSLVV50 IVIYFYMKLK60 TVASVFLLNL 70 ALADLCFLLT80 LPLWAVYTAM90 EYRWPFGNYL100 CKIASASVSF110 NLYASVFLLT 120 CLSIDRYLAI130 VHPMKSRLRR140 TMLVAKVTCI150 IIWLLAGLAS160 LPAIIHRNVF 170 FIENTNITVC180 AFHYESQNST190 LPIGLGLTKN200 ILGFLFPFLI210 ILTSYTLIWK 220 ALKKAYDLED230 NWETLNDNLK240 VIEKADNAAQ250 VKDALTKMRA260 AALDAQKAHG 289 FDILVGQIDD299 ALKLANEGKV309 KEAQAAAEQL319 KKNKPRNDDI1238 FKIIMAIVLF 1248 FFFSWIPHQI1258 FTFLDVLIQL1268 GIIRDCRIAD1278 IVDTAMPITI1288 CIAYFNNCLN 1298 PLFYGFLGKK1308 FKRYFLQLLK1318
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Sarcosine | Ligand Info | |||||
| Structure Description | Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to TRV026 | PDB:6OS2 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [2] |
| PDB Sequence |
IKRIQDDCPK
20 AGRHNYIFVM30 IPTLYSIIFV40 VGIFGNSLVV50 IVIYFYMKLK60 TVASVFLLNL 70 ALADLCFLLT80 LPLWAVYTAM90 EYRWPFGNYL100 CKIASASVSF110 NLYASVFLLT 120 CLSIDRYLAI130 VHPMKSRLRR140 TMLVAKVTCI150 IIWLLAGLAS160 LPAIIHRNVF 170 FIENTNITVC180 AFHYESQNST190 LPIGLGLTKN200 ILGFLFPFLI210 ILTSYTLIWK 220 ALKKAYDLED230 NWETLNDNLK240 VIEKADNAAQ250 VKDALTKMRA260 AALDAQKAHG 289 FDILVGQIDD299 ALKLANEGKV309 KEAQAAAEQL319 KKNKPRNDDI1238 FKIIMAIVLF 1248 FFFSWIPHQI1258 FTFLDVLIQL1268 GIIRDCRIAD1278 IVDTAMPITI1288 CIAYFNNCLN 1298 PLFYGFLGKK1308 FKRYFLQLLK1318
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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 .SAR or .SAR2 or .SAR3 or :3SAR;style chemicals stick;color identity;select .A:15 or .A:16 or .A:17 or .A:183 or .A:184 or .A:185 or .A:186; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Olmesartan | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Angiotensin Receptor in Complex with Inverse Agonist Olmesartan at 2.8A resolution. | PDB:4ZUD | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [3] |
| PDB Sequence |
DLEDNWETLN
1011 DNLKVIEKAD1021 NAAQVKDALT1031 KMRAAALDAQ1041 KATPPKLEDK1051 SPDSPEMKDF 1061 RHGFDILVGQ1071 IDDALKLANE1081 GKVKEAQAAA1091 EQLKTTRNAY1101 IQKYLILNSS 16 DCPKAGRHNY26 IFVMIPTLYS36 IIFVVGIFGN46 SLVVIVIYFY56 MKLKTVASVF 66 LLNLALADLC76 FLLTLPLWAV86 YTAMEYRWPF96 GNYLCKIASA106 SVSFNLYASV 116 FLLTCLSIDR126 YLAIVHPTML143 VAKVTCIIIW153 LLAGLASLPA163 IIHRNVFFIE 173 NTNITVCAFH183 YESTLPIGLG196 LTKNILGFLF206 PFLIILTSYT216 LIWKALNDDI 238 FKIIMAIVLF248 FFFSWIPHQI258 FTFLDVLIQL268 GIIRDCRIAD278 IVDTAMPITI 288 CIAYFNNCLN298 PLFYGF
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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 .OLM or .OLM2 or .OLM3 or :3OLM;style chemicals stick;color identity;select .A:35 or .A:77 or .A:81 or .A:84 or .A:87 or .A:88 or .A:92 or .A:105 or .A:108 or .A:109 or .A:112 or .A:113 or .A:163 or .A:167 or .A:180 or .A:182 or .A:199 or .A:253 or .A:285 or .A:288 or .A:292; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR35
3.214
PHE77
3.864
LEU81
4.702
TRP84
3.182
TYR87
3.766
THR88
4.238
TYR92
3.780
SER105
3.672
VAL108
3.021
SER109
3.267
LEU112
3.920
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of the Angiotensin receptor revealed by serial femtosecond crystallography. Cell. 2015 May 7;161(4):833-44. | ||||
| REF 2 | Angiotensin and biased analogs induce structurally distinct active conformations within a GPCR. Science. 2020 Feb 21;367(6480):888-892. | ||||
| REF 3 | Structural Basis for Ligand Recognition and Functional Selectivity at Angiotensin Receptor. J Biol Chem. 2015 Dec 4;290(49):29127-39. | ||||
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