PDB
8TH4
Resolution
3.3 Å
Released
May 22, 2024
Receptor
AT1
Class
A
Species
Homo sapiens
Ligands
Function
AT118-L Nanobody
Antagonist
losartan
Antagonist
Reference
10.1038/S41589-024-01620-6
AT118-L Nanobody losartan

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Ligand Amino Acid Generic Number Segment Interaction Type
losartan Y35 1.39x39 TM1 hydrophobic
losartan F77 2.53x53 TM2 hydrophobic
losartan L81 2.57x57 TM2 Van der Waals
losartan W84 2.60x60 TM2 aromatic (edge-to-face)
losartan W84 2.60x60 TM2 hydrophobic
losartan Y87 2.63x63 TM2 hydrophobic
AT118-L Nanobody Y87 2.63x63 TM2 Van der Waals
losartan T88 2.64x64 TM2 Van der Waals
AT118-L Nanobody Y92 ECL1 polar (hydrogen bond)
losartan Y92 ECL1 Van der Waals
losartan S105 3.29x29 TM3 Van der Waals
losartan V108 3.32x32 TM3 hydrophobic
losartan S109 3.33x33 TM3 Van der Waals
losartan L112 3.36x36 TM3 hydrophobic
losartan A163 4.60x61 TM4 Van der Waals
losartan R167 ECL2 polar (charge-charge)
losartan R167 ECL2 aromatic (pi-cation)
losartan R167 ECL2 polar (hydrogen bond)
AT118-L Nanobody F170 ECL2 hydrophobic
AT118-L Nanobody I172 ECL2 hydrophobic
AT118-L Nanobody E173 ECL2 polar (hydrogen bond)
AT118-L Nanobody E173 ECL2 hydrophobic
AT118-L Nanobody E173 ECL2 polar (charge-charge)
AT118-L Nanobody N174 ECL2 polar (hydrogen bond)
AT118-L Nanobody V179 ECL2 hydrophobic
AT118-L Nanobody A181 45.51x51 ECL2 hydrophobic
losartan F182 45.52x52 ECL2 Van der Waals
AT118-L Nanobody F182 45.52x52 ECL2 polar (hydrogen bond with backbone)
AT118-L Nanobody H183 ECL2 Van der Waals
AT118-L Nanobody Y184 ECL2 hydrophobic
AT118-L Nanobody Y184 ECL2 polar (hydrogen bond with backbone)
AT118-L Nanobody E185 ECL2 polar (charge-charge)
AT118-L Nanobody S186 ECL2 Van der Waals
AT118-L Nanobody Q187 ECL2 Van der Waals
AT118-L Nanobody N188 ECL2 Van der Waals
AT118-L Nanobody P192 5.35x36 TM5 Van der Waals
losartan K199 5.42x43 TM5 aromatic (pi-cation)
AT118-L Nanobody D1263 6.58x58 TM6 polar (charge-charge)
AT118-L Nanobody I1266 6.61x61 TM6 Van der Waals
AT118-L Nanobody Q1267 6.62x62 TM6 hydrophobic
AT118-L Nanobody A1277 7.28x27 TM7 Van der Waals
AT118-L Nanobody D1281 7.32x31 TM7 polar (hydrogen bond)
AT118-L Nanobody D1281 7.32x31 TM7 polar (charge-charge)
AT118-L Nanobody M1284 7.35x34 TM7 Van der Waals
AT118-L Nanobody P1285 7.36x35 TM7 Van der Waals
losartan I1288 7.39x38 TM7 hydrophobic
losartan Y1292 7.43x42 TM7 hydrophobic

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Snake plot — Download: PNG | SVG
ICL1 M K L K ICL1ECL1 Y R W P F ECL1ICL2 P M K S R L R R ICL2ECL2 N V F F I E N T N I T V C A F H Y E S Q N S T ECL2ICL3 Y E I Q K N K ICL3ECL3 I I R ECL3N-term M I L N S S T E D G I K R I Q D D C P K A G R N-termC-term P P K A K S H S N L S T K M S T L S Y R P S D N V S S S T K K P A P C F E V E C-term H N Y I F V M I P T L Y S I I F V V G I F G N S L V V I V I Y F Y T V A S V F L L N L A L A D L C F L L T L P L W A V Y T A M E G N Y L C K I A S A S V S F N L Y A S V F L L T C L S I D R Y L A I V H T M L V A K V T C I I I W L L A G L A S L P A I I H R L P I G L G L T K N I L G F L F P F L I I L T S Y T L I W K A L K K A P R N D D I F K I I M A I V L F F F F S W I P H Q I F T F L D V L I Q L G D C R I A D I V D T A M P I T I C I A Y F N N C L N P L F Y G F L G K K F L Q I F K R Y L L K Y
Helix box plot — Download: PNG | SVG S N G F I G V V F I I S Y L T P I M V F 1 L N L A L A D L C F L L T L P L W A V Y 2 C T L L F V S A Y L N F S V S A S A I K 3 A K V T C I I I W L L A G L A S L P A 4 Y S T L I I L F P F L F G L I N K T L G L 5 M A I V L F F F F S W I P H Q I F T F L 6 L P N L C N N F Y A I C I T I P M A T 7

GPCRdb(A)
GPCRdb(A)
AT1 receptor
TM1
1x39 1.39x39 Y35
TM2
2x53 2.53x53 F77
2x57 2.57x57 L81
2x60 2.60x60 W84
2x63 2.63x63 Y87
2x64 2.64x64 T88
TM3
3x29 3.29x29 S105
3x32 3.32x32 V108
3x33 3.33x33 S109
3x36 3.36x36 L112
TM4
4x61 4.60x61 A163
ECL2
45x51 45.51x51 A181
45x52 45.52x52 F182
TM5
5x36 5.35x36 P192
5x43 5.42x43 K199
TM6
6x58 6.58x58 D263
6x61 6.61x61 I266
6x62 6.62x62 Q267
TM7
7x27 7.28x27 A277
7x31 7.32x31 D281
7x34 7.35x34 M284
7x35 7.36x35 P285
7x38 7.39x38 I288
7x42 7.43x42 Y292