Structure information

β3-adrenoceptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

7XJI

SPECIES

Canis lupus familiaris

RESOLUTION

3.900

PREFERRED CHAIN

R

REFERENCE

10.1016/J.BBRC.2022.04.065

PUBLICATION DATE

May 4, 2022

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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
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid D117 3.32x32 TM3 polar (charge-assisted hydrogen bond)
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid V118 3.33x33 TM3 Van der Waals
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid V118 3.33x33 TM3 hydrophobic
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid V121 3.36x36 TM3 Van der Waals
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid V121 3.36x36 TM3 hydrophobic
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid C189 ECL2 Van der Waals
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid F198 45.52x52 ECL2 aromatic (face-to-edge)
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid F198 45.52x52 ECL2 Van der Waals
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid W305 6.48x48 TM6 Van der Waals
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid W305 6.48x48 TM6 hydrophobic
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid F308 6.51x51 TM6 Van der Waals
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid F308 6.51x51 TM6 hydrophobic
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid F309 6.52x52 TM6 Van der Waals
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid F309 6.52x52 TM6 aromatic (face-to-edge)
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid S325 7.32x31 TM7 Van der Waals
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid L328 7.35x34 TM7 Van der Waals
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid L328 7.35x34 TM7 hydrophobic
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid L329 7.36x35 TM7 hydrophobic
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid L329 7.36x35 TM7 Van der Waals
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid N332 7.39x38 TM7 polar (hydrogen bond)
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid N332 7.39x38 TM7 polar (hydrogen bond)
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid Y336 7.43x42 TM7 Van der Waals
3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid Y336 7.43x42 TM7 polar (hydrogen bond)

Ligands

3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid

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Residue Diagrams

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


GPCRdb(A)
GPCRdb(A)
β3-adrenoceptor
TM3
3x32 3.32x32 D117
3x33 3.33x33 V118
3x36 3.36x36 V121
ECL2
45x52 45.52x52 F198
TM6
6x48 6.48x48 W305
6x51 6.51x51 F308
6x52 6.52x52 F309
TM7
7x31 7.32x31 S325
7x34 7.35x34 L328
7x35 7.36x35 L329
7x38 7.39x38 N332
7x42 7.43x42 Y336