Structure information

β1-adrenoceptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

4BVN

SPECIES

Meleagris gallopavo

RESOLUTION

2.100

PREFERRED CHAIN

A

REFERENCE

10.1371/JOURNAL.PONE.0092727

PUBLICATION DATE

April 2, 2014

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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
(S)-Cyanopindolol W117 3.28x28 TM3 hydrophobic
(S)-Cyanopindolol D121 3.32x32 TM3 polar (charge-assisted hydrogen bond)
(S)-Cyanopindolol V122 3.33x33 TM3 Van der Waals
(S)-Cyanopindolol V122 3.33x33 TM3 hydrophobic
(S)-Cyanopindolol V125 3.36x36 TM3 Van der Waals
(S)-Cyanopindolol V125 3.36x36 TM3 hydrophobic
(S)-Cyanopindolol F201 45.52x52 ECL2 Van der Waals
(S)-Cyanopindolol F201 45.52x52 ECL2 hydrophobic
(S)-Cyanopindolol T203 ECL2 polar (hydrogen bond)
(S)-Cyanopindolol Y207 5.38x39 TM5 Van der Waals
(S)-Cyanopindolol Y207 5.38x39 TM5 hydrophobic
(S)-Cyanopindolol A208 5.39x40 TM5 Van der Waals
(S)-Cyanopindolol S211 5.42x43 TM5 polar (hydrogen bond)
(S)-Cyanopindolol S215 5.46x461 TM5 Van der Waals
(S)-Cyanopindolol W303 6.48x48 TM6 hydrophobic
(S)-Cyanopindolol W303 6.48x48 TM6 Van der Waals
(S)-Cyanopindolol F306 6.51x51 TM6 hydrophobic
(S)-Cyanopindolol F306 6.51x51 TM6 Van der Waals
(S)-Cyanopindolol F307 6.52x52 TM6 aromatic (edge-to-face)
(S)-Cyanopindolol F307 6.52x52 TM6 Van der Waals
(S)-Cyanopindolol N310 6.55x55 TM6 polar (hydrogen bond)
(S)-Cyanopindolol N329 7.39x38 TM7 polar (hydrogen bond)
(S)-Cyanopindolol N329 7.39x38 TM7 polar (hydrogen bond)
(S)-Cyanopindolol Y333 7.43x42 TM7 Van der Waals

Ligands

(S)-Cyanopindolol

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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
45x52 45.52x52 F201
TM5
5x39 5.38x39 Y207
5x40 5.39x40 A208
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
7x38 7.39x38 N329
7x42 7.43x42 Y333