Structure information

β2-adrenoceptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

3D4S

SPECIES

Homo sapiens

RESOLUTION

2.800

PREFERRED CHAIN

A

REFERENCE

10.1016/J.STR.2008.05.001

PUBLICATION DATE

June 17, 2008

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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
timolol D113 3.32x32 TM3 polar (charge-assisted hydrogen bond)
timolol V114 3.33x33 TM3 hydrophobic
timolol V114 3.33x33 TM3 Van der Waals
timolol V117 3.36x36 TM3 hydrophobic
timolol V117 3.36x36 TM3 Van der Waals
timolol T118 3.37x37 TM3 polar (hydrogen bond)
timolol F193 45.52x52 ECL2 Van der Waals
timolol F193 45.52x52 ECL2 hydrophobic
timolol Y199 5.38x39 TM5 Van der Waals
timolol Y199 5.38x39 TM5 hydrophobic
timolol S203 5.42x43 TM5 Van der Waals
timolol S207 5.46x461 TM5 Van der Waals
timolol W286 6.48x48 TM6 hydrophobic
timolol W286 6.48x48 TM6 Van der Waals
timolol F289 6.51x51 TM6 Van der Waals
timolol F289 6.51x51 TM6 hydrophobic
timolol F290 6.52x52 TM6 aromatic (edge-to-face)
timolol F290 6.52x52 TM6 Van der Waals
timolol N293 6.55x55 TM6 polar (hydrogen bond)
timolol N293 6.55x55 TM6 Van der Waals
timolol Y308 7.35x34 TM7 Van der Waals
timolol N312 7.39x38 TM7 polar (hydrogen bond)
timolol N312 7.39x38 TM7 polar (hydrogen bond)
timolol Y316 7.43x42 TM7 polar (hydrogen bond)

Ligands

timolol

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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
3x37 3.37x37 T118
ECL2
45x52 45.52x52 F193
TM5
5x39 5.38x39 Y199
5x43 5.42x43 S203
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