Structure information

β1-adrenoceptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

7BU7

SPECIES

Homo sapiens

RESOLUTION

2.600

PREFERRED CHAIN

A

REFERENCE

10.1038/S41422-020-00424-2

PUBLICATION DATE

Dec. 2, 2020

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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 W1134 3.28x28 TM3 hydrophobic
CHEMBL1615159 D1138 3.32x32 TM3 polar (charge-assisted hydrogen bond)
CHEMBL1615159 V1139 3.33x33 TM3 Van der Waals
CHEMBL1615159 V1139 3.33x33 TM3 hydrophobic
CHEMBL1615159 C1216 45.50x50 ECL2 Van der Waals
CHEMBL1615159 D1217 45.51x51 ECL2 Van der Waals
CHEMBL1615159 F1218 45.52x52 ECL2 Van der Waals
CHEMBL1615159 F1218 45.52x52 ECL2 hydrophobic
CHEMBL1615159 A1225 5.39x40 TM5 Van der Waals
CHEMBL1615159 S1228 5.42x43 TM5 polar (hydrogen bond)
CHEMBL1615159 S1228 5.42x43 TM5 polar (hydrogen bond)
CHEMBL1615159 S1232 5.46x461 TM5 polar (hydrogen bond)
CHEMBL1615159 S1232 5.46x461 TM5 Van der Waals
CHEMBL1615159 F1340 6.51x51 TM6 Van der Waals
CHEMBL1615159 F1340 6.51x51 TM6 hydrophobic
CHEMBL1615159 N1344 6.55x55 TM6 polar (hydrogen bond)
CHEMBL1615159 N1344 6.55x55 TM6 Van der Waals
CHEMBL1615159 V1360 7.36x35 TM7 hydrophobic
CHEMBL1615159 V1360 7.36x35 TM7 Van der Waals
CHEMBL1615159 N1363 7.39x38 TM7 polar (hydrogen bond)
CHEMBL1615159 N1363 7.39x38 TM7 polar (hydrogen bond)
CHEMBL1615159 Y1367 7.43x42 TM7 Van der Waals

Ligands

CHEMBL1615159

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Residue Diagrams

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


GPCRdb(A)
GPCRdb(A)
β1-adrenoceptor
TM3
3x28 3.28x28 W134
3x32 3.32x32 D138
3x33 3.33x33 V139
ECL2
45x50 45.50x50 C216
45x51 45.51x51 D217
45x52 45.52x52 F218
TM5
5x40 5.39x40 A225
5x43 5.42x43 S228
5x461 5.46x461 S232
TM6
6x51 6.51x51 F340
6x55 6.55x55 N344
TM7
7x35 7.36x35 V360
7x38 7.39x38 N363
7x42 7.43x42 Y367