Target Binding Site Detail

Content Navigation (  All   None )                                      
Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T74456 Target Info
Target Name Angiotensin II receptor type-1 (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
Target Type Successful Target
Gene Name AGTR1
Biochemical Class GPCR rhodopsin
UniProt ID
AGTR1_HUMAN
Ligand General Information  Top
Ligand Name Cholesterol Ligand Info
Canonical SMILES CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
InChI 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey HVYWMOMLDIMFJA-DPAQBDIFSA-N
PubChem Compound ID 5997
Drug Binding Sites of Target  Top
PDB ID: 6OS2      Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to TRV026
Method X-ray diffraction Resolution 2.70 Å Mutation Yes [1]
PDB Sequence
IKRIQDDCPK
20
AGRHNYIFVM
30
IPTLYSIIFV
40
VGIFGNSLVV
50
IVIYFYMKLK
60

TVASVFLLNL
70
ALADLCFLLT
80
LPLWAVYTAM
90
EYRWPFGNYL
100
CKIASASVSF
110

NLYASVFLLT
120
CLSIDRYLAI
130
VHPMKSRLRR
140
TMLVAKVTCI
150
IIWLLAGLAS
160

LPAIIHRNVF
170
FIENTNITVC
180
AFHYESQNST
190
LPIGLGLTKN
200
ILGFLFPFLI
210

ILTSYTLIWK
220
ALKKAYDLED
230
NWETLNDNLK
240
VIEKADNAAQ
250
VKDALTKMRA
260

AALDAQKAHG
289
FDILVGQIDD
299
ALKLANEGKV
309
KEAQAAAEQL
319
KKNKPRNDDI
1238

FKIIMAIVLF
1248
FFFSWIPHQI
1258
FTFLDVLIQL
1268
GIIRDCRIAD
1278
IVDTAMPITI
1288

CIAYFNNCLN
1298
PLFYGFLGKK
1308
FKRYFLQLLK
1318
Residue
Distance (Å)
PHE39
4.139
ILE43
3.798
PHE44
4.092
SER47
3.604
Residue
Distance (Å)
LEU48
3.779
ILE51
4.047
LEU1316
2.802
LEU1317
4.897
PDB ID: 6OS1      Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to TRV023
Method X-ray diffraction Resolution 2.79 Å Mutation Yes [1]
PDB Sequence
IKRIQDDCPK
20
AGRHNYIFVM
30
IPTLYSIIFV
40
VGIFGNSLVV
50
IVIYFYMKLK
60

TVASVFLLNL
70
ALADLCFLLT
80
LPLWAVYTAM
90
EYRWPFGNYL
100
CKIASASVSF
110

NLYASVFLLT
120
CLSIDRYLAI
130
VHPMKSRLRR
140
TMLVAKVTCI
150
IIWLLAGLAS
160

LPAIIHRNVF
170
FIENTNITVC
180
AFHYESQNST
190
LPIGLGLTKN
200
ILGFLFPFLI
210

ILTSYTLIWK
220
ALKKAYDLED
230
NWETLNDNLK
240
VIEKADNAAQ
250
VKDALTKMRA
260

AALDAQKARH
288
GFDILVGQID
298
DALKLANEGK
308
VKEAQAAAEQ
318
LKKNKPRNDD
1237

IFKIIMAIVL
1247
FFFFSWIPHQ
1257
IFTFLDVLIQ
1267
LGIIRDCRIA
1277
DIVDTAMPIT
1287

ICIAYFNNCL
1297
NPLFYGFLGK
1307
KFKRYFLQLL
1317
K
Residue
Distance (Å)
PHE39
4.286
ILE43
3.797
SER47
3.722
LEU48
4.417
Residue
Distance (Å)
ILE51
3.593
LEU79
4.625
LEU1316
2.619
LEU1317
4.561
References  Top
REF 1 Angiotensin and biased analogs induce structurally distinct active conformations within a GPCR. Science. 2020 Feb 21;367(6480):888-892.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.