PDB
9M4Q
Resolution
3.0 Å
Released
July 2, 2025
Receptor
α1A
Class
A
Species
Homo sapiens
Ligand
doxazosin
Function
Antagonist
Reference
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Ligand Amino Acid Generic Number Segment Interaction Type
doxazosin F86 2.64x63 TM2 aromatic (face-to-edge)
doxazosin W102 3.28x28 TM3 hydrophobic
doxazosin A103 3.29x29 TM3 polar (hydrogen bond)
doxazosin A103 3.29x29 TM3 polar (hydrogen bond with backbone)
doxazosin D106 3.32x32 TM3 polar (charge-assisted hydrogen bond)
doxazosin V107 3.33x33 TM3 hydrophobic
doxazosin V107 3.33x33 TM3 Van der Waals
doxazosin C110 3.36x36 TM3 polar (hydrogen bond)
doxazosin T111 3.37x37 TM3 polar (hydrogen bond)
doxazosin L162 4.61x61 TM4 polar (hydrogen bond)
doxazosin C176 45.50x50 ECL2 polar (hydrogen bond)
doxazosin C176 45.50x50 ECL2 polar (hydrogen bond with backbone)
doxazosin Q177 45.51x51 ECL2 polar (hydrogen bond with backbone)
doxazosin Q177 45.51x51 ECL2 polar (hydrogen bond)
doxazosin I178 45.52x52 ECL2 polar (hydrogen bond)
doxazosin N179 ECL2 Van der Waals
doxazosin Y184 5.38x39 TM5 polar (hydrogen bond)
doxazosin S188 5.42x43 TM5 polar (hydrogen bond)
doxazosin S188 5.42x43 TM5 polar (hydrogen bond)
doxazosin A189 5.43x44 TM5 Van der Waals
doxazosin A189 5.43x44 TM5 polar (hydrogen bond with backbone)
doxazosin S192 5.46x461 TM5 polar (hydrogen bond)
doxazosin F288 6.51x51 TM6 aromatic (edge-to-face)
doxazosin F288 6.51x51 TM6 polar (hydrogen bond)
doxazosin F289 6.52x52 TM6 polar (hydrogen bond)
doxazosin M292 6.55x55 TM6 polar (hydrogen bond)
doxazosin F308 7.35x34 TM7 polar (hydrogen bond)
doxazosin K309 7.36x35 TM7 polar (charge-assisted hydrogen bond)
doxazosin F312 7.39x38 TM7 hydrophobic
doxazosin F312 7.39x38 TM7 Van der Waals
doxazosin Y316 7.43x42 TM7 Van der Waals

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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
TM3
3x28 3.28x28 W102
3x29 3.29x29 A103
3x32 3.32x32 D106
3x33 3.33x33 V107
3x36 3.36x36 C110
3x37 3.37x37 T111
TM4
4x61 4.61x61 L162
ECL2
45x50 45.50x50 C176
45x51 45.51x51 Q177
45x52 45.52x52 I178
TM5
5x39 5.38x39 Y184
5x43 5.42x43 S188
5x44 5.43x44 A189
5x461 5.46x461 S192
TM6
6x51 6.51x51 F288
6x52 6.52x52 F289
6x55 6.55x55 M292
TM7
7x34 7.35x34 F308
7x35 7.36x35 K309
7x38 7.39x38 F312
7x42 7.43x42 Y316