PDB
6TKO
Resolution
3.3 Å
Released
June 17, 2020
Receptor
β1
Class
A
Species
Meleagris gallopavo
Ligand
Function
ARFORMOTEROL
Agonist
Reference
10.1038/S41586-020-2419-1

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Ligand Amino Acid Generic Number Segment Interaction Type
ARFORMOTEROL L101 2.64x63 TM2 Van der Waals
ARFORMOTEROL W117 3.28x28 TM3 hydrophobic
ARFORMOTEROL T118 3.29x29 TM3 hydrophobic
ARFORMOTEROL D121 3.32x32 TM3 polar (hydrogen bond)
ARFORMOTEROL D121 3.32x32 TM3 polar (charge-charge)
ARFORMOTEROL V122 3.33x33 TM3 hydrophobic
ARFORMOTEROL V125 3.36x36 TM3 hydrophobic
ARFORMOTEROL D200 45.51x51 ECL2 Van der Waals
ARFORMOTEROL F201 45.52x52 ECL2 aromatic (edge-to-face)
ARFORMOTEROL F201 45.52x52 ECL2 aromatic (pi-cation)
ARFORMOTEROL F201 45.52x52 ECL2 hydrophobic
ARFORMOTEROL T203 ECL2 Van der Waals
ARFORMOTEROL A208 5.39x40 TM5 Van der Waals
ARFORMOTEROL S211 5.42x43 TM5 Van der Waals
ARFORMOTEROL S215 5.46x461 TM5 polar (hydrogen bond)
ARFORMOTEROL F306 6.51x51 TM6 hydrophobic
ARFORMOTEROL F306 6.51x51 TM6 aromatic (edge-to-face)
ARFORMOTEROL F307 6.52x52 TM6 aromatic (edge-to-face)
ARFORMOTEROL F307 6.52x52 TM6 hydrophobic
ARFORMOTEROL N310 6.55x55 TM6 polar (hydrogen bond)
ARFORMOTEROL K322 7.32x31 TM7 Van der Waals
ARFORMOTEROL F325 7.35x34 TM7 hydrophobic
ARFORMOTEROL V326 7.36x35 TM7 hydrophobic
ARFORMOTEROL N329 7.39x38 TM7 polar (hydrogen bond)
ARFORMOTEROL 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
TM2
2x63 2.64x63 L101
TM3
3x28 3.28x28 W117
3x29 3.29x29 T118
3x32 3.32x32 D121
3x33 3.33x33 V122
3x36 3.36x36 V125
ECL2
45x51 45.51x51 D200
45x52 45.52x52 F201
TM5
5x40 5.39x40 A208
5x43 5.42x43 S211
5x461 5.46x461 S215
TM6
6x51 6.51x51 F306
6x52 6.52x52 F307
6x55 6.55x55 N310
TM7
7x31 7.32x31 D322
7x34 7.35x34 F325
7x35 7.36x35 V326
7x38 7.39x38 N329
7x42 7.43x42 Y333