PDB
5A8E
Resolution
2.4 Å
Released
Sept. 30, 2015
Receptor
β1
Class
A
Species
Meleagris gallopavo
Ligand
7-methylcyanopindolol
Function
Agonist (partial)
Reference
10.1124/MOL.115.101030

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Ligand Amino Acid Generic Number Segment Interaction Type
7-methylcyanopindolol W117 3.28x28 TM3 hydrophobic
7-methylcyanopindolol D121 3.32x32 TM3 polar (charge-assisted hydrogen bond)
7-methylcyanopindolol V122 3.33x33 TM3 Van der Waals
7-methylcyanopindolol V122 3.33x33 TM3 hydrophobic
7-methylcyanopindolol V125 3.36x36 TM3 hydrophobic
7-methylcyanopindolol V125 3.36x36 TM3 Van der Waals
7-methylcyanopindolol F201 45.52x52 ECL2 Van der Waals
7-methylcyanopindolol F201 45.52x52 ECL2 aromatic (edge-to-face)
7-methylcyanopindolol T203 ECL2 polar (hydrogen bond)
7-methylcyanopindolol Y207 5.38x39 TM5 Van der Waals
7-methylcyanopindolol Y207 5.38x39 TM5 hydrophobic
7-methylcyanopindolol S211 5.42x43 TM5 polar (hydrogen bond)
7-methylcyanopindolol W303 6.48x48 TM6 Van der Waals
7-methylcyanopindolol W303 6.48x48 TM6 hydrophobic
7-methylcyanopindolol F306 6.51x51 TM6 hydrophobic
7-methylcyanopindolol F306 6.51x51 TM6 Van der Waals
7-methylcyanopindolol F307 6.52x52 TM6 aromatic (edge-to-face)
7-methylcyanopindolol F307 6.52x52 TM6 Van der Waals
7-methylcyanopindolol N310 6.55x55 TM6 polar (hydrogen bond)
7-methylcyanopindolol N329 7.39x38 TM7 polar (hydrogen bond)
7-methylcyanopindolol N329 7.39x38 TM7 polar (hydrogen bond)
7-methylcyanopindolol Y333 7.43x42 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
β1-adrenoceptor
TM3
3x28 3.28x28 W117
3x32 3.32x32 D121
3x33 3.33x33 V122
3x36 3.36x36 V125
ECL2
45x52 45.52x52 F201
TM5
5x39 5.38x39 Y207
5x43 5.42x43 S211
TM6
6x48 6.48x48 W303
6x51 6.51x51 F306
6x52 6.52x52 F307
6x55 6.55x55 N310
TM7
7x38 7.39x38 N329
7x42 7.43x42 Y333