Structure information

β1-adrenoceptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

4AMI

SPECIES

Meleagris gallopavo

RESOLUTION

3.200

PREFERRED CHAIN

A

REFERENCE

10.1016/J.STR.2012.03.014

PUBLICATION DATE

May 23, 2012

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Ligand Interaction Browser

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Ligand Amino Acid Generic Number Segment Interaction Type
Ligand Amino Acid Generic Number Segment Interaction Type
Bucindolol W117 3.28x28 TM3 hydrophobic
Bucindolol D121 3.32x32 TM3 polar (charge-assisted hydrogen bond)
Bucindolol V122 3.33x33 TM3 Van der Waals
Bucindolol V122 3.33x33 TM3 hydrophobic
Bucindolol V125 3.36x36 TM3 Van der Waals
Bucindolol V125 3.36x36 TM3 hydrophobic
Bucindolol C199 45.50x50 ECL2 Van der Waals
Bucindolol C199 45.50x50 ECL2 polar (hydrogen bond with backbone)
Bucindolol D200 45.51x51 ECL2 Van der Waals
Bucindolol F201 45.52x52 ECL2 hydrophobic
Bucindolol F201 45.52x52 ECL2 Van der Waals
Bucindolol S211 5.42x43 TM5 Van der Waals
Bucindolol S215 5.46x461 TM5 Van der Waals
Bucindolol W303 6.48x48 TM6 hydrophobic
Bucindolol W303 6.48x48 TM6 Van der Waals
Bucindolol F306 6.51x51 TM6 hydrophobic
Bucindolol F306 6.51x51 TM6 Van der Waals
Bucindolol F307 6.52x52 TM6 Van der Waals
Bucindolol F307 6.52x52 TM6 aromatic (edge-to-face)
Bucindolol N310 6.55x55 TM6 Van der Waals
Bucindolol F325 7.35x34 TM7 hydrophobic
Bucindolol F325 7.35x34 TM7 Van der Waals
Bucindolol N329 7.39x38 TM7 polar (hydrogen bond)
Bucindolol N329 7.39x38 TM7 polar (hydrogen bond)
Bucindolol N329 7.39x38 TM7 Van der Waals
Bucindolol Y333 7.43x42 TM7 Van der Waals

Ligands

Bucindolol

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Residue Diagrams

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
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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
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Residue Table


GPCRdb(A)
GPCRdb(A)
β1-adrenoceptor
TM3
3x28 3.28x28 W117
3x32 3.32x32 D121
3x33 3.33x33 V122
3x36 3.36x36 V125
ECL2
45x50 45.50x50 C199
45x51 45.51x51 D200
45x52 45.52x52 F201
TM5
5x43 5.42x43 S211
5x461 5.46x461 S215
TM6
6x48 6.48x48 W303
6x51 6.51x51 F306
6x52 6.52x52 F307
6x55 6.55x55 N310
TM7
7x34 7.35x34 F325
7x38 7.39x38 N329
7x42 7.43x42 Y333