Structure information

β2-adrenoceptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

5X7D

SPECIES

Homo sapiens

RESOLUTION

2.700

PREFERRED CHAIN

A

PUBLICATION DATE

Aug. 16, 2017

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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
4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide R63 12.49x49 ICL1 polar (hydrogen bond with backbone)
4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide L64 12.50x50 ICL1 hydrophobic
4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide N69 2.40x40 TM2 polar (hydrogen bond)
4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide I72 2.43x43 TM2 hydrophobic
Carazolol D113 3.32x32 TM3 polar (charge-assisted hydrogen bond)
Carazolol D113 3.32x32 TM3 polar (charge-charge)
Carazolol V114 3.33x33 TM3 hydrophobic
Carazolol V117 3.36x36 TM3 hydrophobic
Carazolol F193 45.52x52 ECL2 aromatic (edge-to-face)
Carazolol S203 5.42x43 TM5 polar (hydrogen bond)
4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide A271 6.33x33 TM6 hydrophobic
4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide T274 6.36x36 TM6 polar (hydrogen bond)
4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide L275 6.37x37 TM6 hydrophobic
Carazolol F289 6.51x51 TM6 hydrophobic
Carazolol F290 6.52x52 TM6 aromatic (edge-to-face)
Carazolol N312 7.39x38 TM7 polar (charge-assisted hydrogen bond)
Carazolol N312 7.39x38 TM7 polar (hydrogen bond)
Carazolol N312 7.39x38 TM7 polar (hydrogen bond)
4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide Y326 7.53x53 TM7 hydrophobic
4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide S329 8.47x47 H8 polar (hydrogen bond)
4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide D331 8.49x49 H8 polar (charge-assisted hydrogen bond)
4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide F332 8.50x50 H8 hydrophobic

Ligands

4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide

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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
ICL1
12x49 12.49x49 R63
12x50 12.50x50 L64
TM2
2x40 2.40x40 N69
2x43 2.43x43 I72
TM3
3x32 3.32x32 D113
3x33 3.33x33 V114
3x36 3.36x36 V117
ECL2
45x52 45.52x52 F193
TM5
5x43 5.42x43 S203
TM6
6x33 6.33x33 A271
6x36 6.36x36 T274
6x37 6.37x37 L275
6x51 6.51x51 F289
6x52 6.52x52 F290
TM7
7x38 7.39x38 N312
7x53 7.53x53 Y326
H8
8x47 8.47x47 S329
8x49 8.49x49 D331
8x50 8.50x50 F332