Structure information

β2-adrenoceptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

4LDE

SPECIES

Homo sapiens

RESOLUTION

2.790

PREFERRED CHAIN

A

REFERENCE

10.1038/NATURE12572

PUBLICATION DATE

Sept. 25, 2013

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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
CHEMBL1615159 W1109 3.28x28 TM3 hydrophobic
CHEMBL1615159 D1113 3.32x32 TM3 polar (charge-assisted hydrogen bond)
CHEMBL1615159 V1114 3.33x33 TM3 hydrophobic
CHEMBL1615159 V1114 3.33x33 TM3 Van der Waals
CHEMBL1615159 V1117 3.36x36 TM3 hydrophobic
CHEMBL1615159 V1117 3.36x36 TM3 Van der Waals
CHEMBL1615159 C1191 45.50x50 ECL2 Van der Waals
CHEMBL1615159 F1193 45.52x52 ECL2 Van der Waals
CHEMBL1615159 F1193 45.52x52 ECL2 hydrophobic
CHEMBL1615159 A1200 5.39x40 TM5 Van der Waals
CHEMBL1615159 S1203 5.42x43 TM5 polar (hydrogen bond)
CHEMBL1615159 S1203 5.42x43 TM5 polar (hydrogen bond with backbone)
CHEMBL1615159 S1203 5.42x43 TM5 polar (hydrogen bond)
CHEMBL1615159 S1204 5.43x44 TM5 Van der Waals
CHEMBL1615159 S1207 5.46x461 TM5 Van der Waals
CHEMBL1615159 S1207 5.46x461 TM5 polar (hydrogen bond)
CHEMBL1615159 F1289 6.51x51 TM6 aromatic (edge-to-face)
CHEMBL1615159 F1289 6.51x51 TM6 Van der Waals
CHEMBL1615159 F1290 6.52x52 TM6 aromatic (edge-to-face)
CHEMBL1615159 F1290 6.52x52 TM6 Van der Waals
CHEMBL1615159 N1293 6.55x55 TM6 Van der Waals
CHEMBL1615159 N1293 6.55x55 TM6 polar (hydrogen bond)
CHEMBL1615159 I1309 7.36x35 TM7 Van der Waals
CHEMBL1615159 I1309 7.36x35 TM7 hydrophobic
CHEMBL1615159 N1312 7.39x38 TM7 polar (hydrogen bond)
CHEMBL1615159 N1312 7.39x38 TM7 polar (hydrogen bond)
CHEMBL1615159 Y1316 7.43x42 TM7 Van der Waals

Ligands

CHEMBL1615159

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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
45x50 45.50x50 C191
45x52 45.52x52 F193
TM5
5x40 5.39x40 A200
5x43 5.42x43 S203
5x44 5.43x44 S204
5x461 5.46x461 S207
TM6
6x51 6.51x51 F289
6x52 6.52x52 F290
6x55 6.55x55 N293
TM7
7x35 7.36x35 I309
7x38 7.39x38 N312
7x42 7.43x42 Y316