PDB
5XJM
Resolution
3.2 Å
Released
July 11, 2018
Receptor
AT2
Class
A
Species
Homo sapiens
Ligands
Fab4A03 (chain L)
Fab4A03 (chain H)
SI
Function
PAM
PAM
Agonist
Reference
10.1038/S41594-018-0079-8
Fab4A03 (chain L) Fab4A03 (chain H) SI

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Ligand Amino Acid Generic Number Segment Interaction Type
Fab4A03 (chain L) Q37 N-term polar (hydrogen bond)
Fab4A03 (chain L) Q37 N-term polar (hydrogen bond)
Fab4A03 (chain L) K38 N-term Van der Waals
Fab4A03 (chain H) P39 N-term polar (hydrogen bond with backbone)
Fab4A03 (chain H) P39 N-term Van der Waals
Fab4A03 (chain H) D41 N-term Van der Waals
SI W100 2.60x60 TM2 hydrophobic
Fab4A03 (chain H) S105 2.65x65 TM2 Van der Waals
Fab4A03 (chain H) Y106 2.66x66 TM2 aromatic (face-to-face)
Fab4A03 (chain H) Y106 2.66x66 TM2 Van der Waals
Fab4A03 (chain H) Y106 2.66x66 TM2 polar (hydrogen bond with backbone)
Fab4A03 (chain H) R107 2.67x67 TM2 Van der Waals
SI Y108 ECL1 hydrophobic
Fab4A03 (chain H) Y108 ECL1 hydrophobic
Fab4A03 (chain H) Y108 ECL1 Van der Waals
Fab4A03 (chain H) D109 23.49x49 ECL1 polar (charge-assisted hydrogen bond)
Fab4A03 (chain H) W110 23.50x50 ECL1 aromatic (face-to-face)
Fab4A03 (chain H) W110 23.50x50 ECL1 Van der Waals
Fab4A03 (chain H) L111 23.51x51 ECL1 hydrophobic
Fab4A03 (chain H) L111 23.51x51 ECL1 Van der Waals
SI L124 3.32x32 TM3 hydrophobic
SI R182 ECL2 polar (charge-assisted hydrogen bond)
Fab4A03 (chain H) T186 ECL2 Van der Waals
Fab4A03 (chain L) E188 ECL2 Van der Waals
Fab4A03 (chain H) E188 ECL2 polar (charge-assisted hydrogen bond)
Fab4A03 (chain L) Y189 ECL2 polar (hydrogen bond)
Fab4A03 (chain L) Y189 ECL2 polar (hydrogen bond)
Fab4A03 (chain L) Y189 ECL2 aromatic (edge-to-face)
Fab4A03 (chain H) Y189 ECL2 hydrophobic
Fab4A03 (chain H) Y189 ECL2 Van der Waals
Fab4A03 (chain H) L190 ECL2 polar (hydrogen bond with backbone)
Fab4A03 (chain H) L190 ECL2 Van der Waals
Fab4A03 (chain H) G191 ECL2 polar (hydrogen bond with backbone)
Fab4A03 (chain H) G191 ECL2 Van der Waals
Fab4A03 (chain H) V192 ECL2 Van der Waals
Fab4A03 (chain H) N193 ECL2 polar (hydrogen bond)
Fab4A03 (chain H) N193 ECL2 Van der Waals
SI I196 45.51x51 ECL2 Van der Waals
SI I196 45.51x51 ECL2 hydrophobic
SI M197 45.52x52 ECL2 polar (hydrogen bond with backbone)
SI M197 45.52x52 ECL2 Van der Waals
SI Y204 5.31x32 TM5 polar (hydrogen bond)
SI Y204 5.31x32 TM5 Van der Waals
SI K215 5.42x43 TM5 polar (charge-assisted hydrogen bond)
SI F272 6.51x51 TM6 Van der Waals
SI F272 6.51x51 TM6 hydrophobic
SI D279 6.58x58 TM6 polar (charge-assisted hydrogen bond)
SI W283 6.62x62 TM6 polar (hydrogen bond)
SI I293 7.28x27 TM7 Van der Waals
SI D297 7.32x31 TM7 polar (charge-assisted hydrogen bond)
SI L300 7.35x34 TM7 hydrophobic
SI L300 7.35x34 TM7 Van der Waals
SI P301 7.36x35 TM7 Van der Waals
SI I304 7.39x38 TM7 Van der Waals
SI I304 7.39x38 TM7 hydrophobic
SI F308 7.43x42 TM7 Van der Waals
SI F308 7.43x42 TM7 hydrophobic

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SI

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

GPCRdb(A)
GPCRdb(A)
AT2 receptor
TM2
2x60 2.60x60 W100
2x65 2.65x65 S105
2x66 2.66x66 Y106
2x67 2.67x67 R107
ECL1
23x49 23.49x49 D109
23x50 23.50x50 W110
23x51 23.51x51 L111
TM3
3x32 3.32x32 L124
ECL2
45x51 45.51x51 I196
45x52 45.52x52 M197
TM5
5x32 5.31x32 Y204
5x43 5.42x43 K215
TM6
6x51 6.51x51 F272
6x58 6.58x58 D279
6x62 6.62x62 W283
TM7
7x27 7.28x27 I293
7x31 7.32x31 D297
7x34 7.35x34 L300
7x35 7.36x35 P301
7x38 7.39x38 I304
7x42 7.43x42 F308