Structure information

β2-adrenoceptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

4GBR

SPECIES

Homo sapiens

RESOLUTION

3.990

PREFERRED CHAIN

A

REFERENCE

10.1371/JOURNAL.PONE.0046039

PUBLICATION DATE

Oct. 24, 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
Carazolol W109 3.28x28 TM3 hydrophobic
Carazolol D113 3.32x32 TM3 polar (charge-assisted hydrogen bond)
Carazolol V114 3.33x33 TM3 Van der Waals
Carazolol V114 3.33x33 TM3 hydrophobic
Carazolol V117 3.36x36 TM3 hydrophobic
Carazolol V117 3.36x36 TM3 Van der Waals
Carazolol F193 45.52x52 ECL2 Van der Waals
Carazolol F193 45.52x52 ECL2 aromatic (edge-to-face)
Carazolol S203 5.42x43 TM5 polar (hydrogen bond)
Carazolol S204 5.43x44 TM5 Van der Waals
Carazolol W258 6.48x48 TM6 hydrophobic
Carazolol W258 6.48x48 TM6 Van der Waals
Carazolol F261 6.51x51 TM6 Van der Waals
Carazolol F261 6.51x51 TM6 hydrophobic
Carazolol F262 6.52x52 TM6 aromatic (edge-to-face)
Carazolol F262 6.52x52 TM6 Van der Waals
Carazolol N265 6.55x55 TM6 Van der Waals
Carazolol N284 7.39x38 TM7 polar (hydrogen bond)
Carazolol N284 7.39x38 TM7 Van der Waals
Carazolol Y288 7.43x42 TM7 polar (hydrogen bond)

Ligands

Carazolol

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Residue Diagrams

V N G F V I A L V I L S M V I G M G V V 1 T S L A C A D L V M G A L V V P F G A A H 2 V C L T E I S A T V C L V D I S T W F E 3 A R V I I L M V W I V S G L T S F L P I 4 Y V F V M I V L P V Y F S V I S S A I A Y 5 G I I M G T F T L C W L P F F I V N I V 6 L P N F G S N V Y G I W N L L I Y V E 7
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ICL1 E R L Q ICL1ECL1 M W T F ECL1ICL2 P F K Y Q S L L ICL2ECL2 W Y R A T H Q E A I N C Y A N E T C C D F F T ECL2ICL3 G R F H V Q N L S Q V E Q D G R T G H G L R R S ICL3ECL3 D N L I ECL3N-term M G Q P G N G S A F L L A P N G S H A P D H D V T N-termC-term L R R S S L K A Y G N G Y S S N G N T G E Q S G Y H V E Q E K E N K L L C E D L P G T E D F V G H Q G T V P S D N I D S Q G R N C S T N D S L L C-term Q E R D E V W V V G M G I V M S L I V L A I V F G N V L V I T A I A K F T V T N Y F I T S L A C A D L V M G L A V V P F G A A H I L M K G N F W C E F W T S I D V L C V T A S I E T L C V I A V D R Y F A I T S T K N K A R V I I L M V W I V S G L T S F L P I Q M H N Q A Y A I A S S I V S F Y V P L V I M V F V Y S R V F Q E A K R Q L Q K I D K S E S K F C L K E H K A L K T L G I I M G T F T L C W L P F F I V N I V H V I Q R K E V Y I L L N W I G Y V N S G F N P L I Y C R S P D F Q E F R I A L L C
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Residue Table


GPCRdb(A)
GPCRdb(A)
β2-adrenoceptor
TM3
3x28 3.28x28 W109
3x32 3.32x32 D113
3x33 3.33x33 V114
3x36 3.36x36 V117
ECL2
45x52 45.52x52 F193
TM5
5x43 5.42x43 S203
5x44 5.43x44 S204
TM6
6x48 6.48x48 W286
6x51 6.51x51 F289
6x52 6.52x52 F290
6x55 6.55x55 N293
TM7
7x38 7.39x38 N312
7x42 7.43x42 Y316