Structure information

β2-adrenoceptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

3NY9

SPECIES

Homo sapiens

RESOLUTION

2.840

PREFERRED CHAIN

A

REFERENCE

10.1021/JA105108Q

PUBLICATION DATE

Aug. 11, 2010

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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
CHEMBL1233771 D113 3.32x32 TM3 polar (charge-assisted hydrogen bond)
CHEMBL1233771 V114 3.33x33 TM3 hydrophobic
CHEMBL1233771 V114 3.33x33 TM3 Van der Waals
CHEMBL1233771 V117 3.36x36 TM3 Van der Waals
CHEMBL1233771 V117 3.36x36 TM3 hydrophobic
CHEMBL1233771 F193 45.52x52 ECL2 Van der Waals
CHEMBL1233771 F193 45.52x52 ECL2 hydrophobic
CHEMBL1233771 T195 ECL2 Van der Waals
CHEMBL1233771 Y199 5.38x39 TM5 Van der Waals
CHEMBL1233771 A200 5.39x40 TM5 Van der Waals
CHEMBL1233771 S203 5.42x43 TM5 Van der Waals
CHEMBL1233771 S204 5.43x44 TM5 Van der Waals
CHEMBL1233771 S207 5.46x461 TM5 Van der Waals
CHEMBL1233771 W286 6.48x48 TM6 Van der Waals
CHEMBL1233771 W286 6.48x48 TM6 hydrophobic
CHEMBL1233771 F289 6.51x51 TM6 hydrophobic
CHEMBL1233771 F289 6.51x51 TM6 Van der Waals
CHEMBL1233771 F290 6.52x52 TM6 Van der Waals
CHEMBL1233771 F290 6.52x52 TM6 aromatic (edge-to-face)
CHEMBL1233771 N293 6.55x55 TM6 Van der Waals
CHEMBL1233771 N293 6.55x55 TM6 polar (hydrogen bond)
CHEMBL1233771 Y308 7.35x34 TM7 Van der Waals
CHEMBL1233771 N312 7.39x38 TM7 polar (hydrogen bond)
CHEMBL1233771 N312 7.39x38 TM7 polar (hydrogen bond)
CHEMBL1233771 Y316 7.43x42 TM7 Van der Waals

Ligands

CHEMBL1233771

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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
3x32 3.32x32 D113
3x33 3.33x33 V114
3x36 3.36x36 V117
ECL2
45x52 45.52x52 F193
TM5
5x39 5.38x39 Y199
5x40 5.39x40 A200
5x43 5.42x43 S203
5x44 5.43x44 S204
5x461 5.46x461 S207
TM6
6x48 6.48x48 W286
6x51 6.51x51 F289
6x52 6.52x52 F290
6x55 6.55x55 N293
TM7
7x34 7.35x34 Y308
7x38 7.39x38 N312
7x42 7.43x42 Y316