Structure information

α2C-adrenoceptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

6KUW

SPECIES

Homo sapiens

RESOLUTION

2.800

PREFERRED CHAIN

A

REFERENCE

PUBLICATION DATE

Dec. 4, 2019

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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
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine D131 3.32x32 TM3 polar (charge-assisted hydrogen bond)
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine V132 3.33x33 TM3 Van der Waals
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine V132 3.33x33 TM3 hydrophobic
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine C135 3.36x36 TM3 Van der Waals
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine C135 3.36x36 TM3 hydrophobic
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine L204 45.52x52 ECL2 hydrophobic
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine L204 45.52x52 ECL2 Van der Waals
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine S214 5.42x43 TM5 Van der Waals
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine S218 5.46x461 TM5 Van der Waals
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine W395 6.48x48 TM6 hydrophobic
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine W395 6.48x48 TM6 Van der Waals
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine F398 6.51x51 TM6 hydrophobic
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine F398 6.51x51 TM6 Van der Waals
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine F399 6.52x52 TM6 hydrophobic
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine F399 6.52x52 TM6 Van der Waals
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine Y402 6.55x55 TM6 hydrophobic
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine Y402 6.55x55 TM6 Van der Waals
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine F423 7.39x38 TM7 Van der Waals
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine F423 7.39x38 TM7 hydrophobic
(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine Y427 7.43x42 TM7 Van der Waals

Ligands

(8Ar,12aS,13aR)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine

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Residue Diagrams

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


GPCRdb(A)
GPCRdb(A)
α2C-adrenoceptor
TM3
3x32 3.32x32 D131
3x33 3.33x33 V132
3x36 3.36x36 C135
ECL2
45x52 45.52x52 L204
TM5
5x43 5.42x43 S214
5x461 5.46x461 S218
TM6
6x48 6.48x48 W395
6x51 6.51x51 F398
6x52 6.52x52 F399
6x55 6.55x55 Y402
TM7
7x38 7.39x38 F423
7x42 7.43x42 Y427