PDB
7YMH
Resolution
3.5 Å
Released
July 5, 2023
Receptor
α1A
Class
A
Species
Homo sapiens
Ligands
Nb29
(-)-noradrenaline
Function
PAM
Agonist
Reference
10.1038/S41467-023-39310-X
Nb29 (-)-noradrenaline

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Ligand Amino Acid Generic Number Segment Interaction Type
Nb29 F86 2.64x63 TM2 hydrophobic
Nb29 Y91 23.49x49 ECL1 hydrophobic
(-)-noradrenaline D106 3.32x32 TM3 polar (charge-assisted hydrogen bond)
(-)-noradrenaline V107 3.33x33 TM3 Van der Waals
(-)-noradrenaline V107 3.33x33 TM3 hydrophobic
(-)-noradrenaline C110 3.36x36 TM3 Van der Waals
Nb29 R166 ECL2 polar (charge-assisted hydrogen bond)
Nb29 A169 ECL2 polar (hydrogen bond with backbone)
Nb29 A169 ECL2 Van der Waals
Nb29 P170 ECL2 Van der Waals
Nb29 P170 ECL2 hydrophobic
Nb29 E171 ECL2 polar (hydrogen bond with backbone)
Nb29 E171 ECL2 polar (charge-assisted hydrogen bond)
Nb29 D172 ECL2 polar (charge-assisted hydrogen bond)
Nb29 T174 ECL2 Van der Waals
Nb29 T174 ECL2 polar (hydrogen bond)
Nb29 I175 ECL2 hydrophobic
Nb29 I175 ECL2 Van der Waals
Nb29 C176 45.50x50 ECL2 polar (hydrogen bond with backbone)
Nb29 C176 45.50x50 ECL2 Van der Waals
Nb29 Q177 45.51x51 ECL2 polar (hydrogen bond)
Nb29 Q177 45.51x51 ECL2 Van der Waals
Nb29 I178 45.52x52 ECL2 polar (hydrogen bond with backbone)
Nb29 I178 45.52x52 ECL2 Van der Waals
Nb29 E180 ECL2 polar (charge-assisted hydrogen bond)
(-)-noradrenaline S188 5.42x43 TM5 polar (hydrogen bond)
(-)-noradrenaline F288 6.51x51 TM6 aromatic (edge-to-face)
(-)-noradrenaline F288 6.51x51 TM6 Van der Waals
(-)-noradrenaline F289 6.52x52 TM6 Van der Waals
(-)-noradrenaline F289 6.52x52 TM6 hydrophobic
Nb29 F308 7.35x34 TM7 Van der Waals
Nb29 F308 7.35x34 TM7 hydrophobic
(-)-noradrenaline F312 7.39x38 TM7 Van der Waals
(-)-noradrenaline Y316 7.43x42 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
α1A-adrenoceptor
TM2
2x63 2.64x63 F86
ECL1
23x49 23.49x49 Y91
TM3
3x32 3.32x32 D106
3x33 3.33x33 V107
3x36 3.36x36 C110
ECL2
45x50 45.50x50 C176
45x51 45.51x51 Q177
45x52 45.52x52 I178
TM5
5x43 5.42x43 S188
TM6
6x51 6.51x51 F288
6x52 6.52x52 F289
TM7
7x34 7.35x34 F308
7x38 7.39x38 F312
7x42 7.43x42 Y316