Structure information

α2A-adrenoceptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

6KUY

SPECIES

Homo sapiens

RESOLUTION

3.200

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
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole D113 3.32x32 TM3 polar (charge-assisted hydrogen bond)
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole V114 3.33x33 TM3 hydrophobic
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole V114 3.33x33 TM3 Van der Waals
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole C117 3.36x36 TM3 Van der Waals
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole C117 3.36x36 TM3 polar (hydrogen bond)
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole S204 5.46x461 TM5 polar (hydrogen bond)
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole S204 5.46x461 TM5 Van der Waals
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole W387 6.48x48 TM6 Van der Waals
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole W387 6.48x48 TM6 aromatic (edge-to-face)
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole F390 6.51x51 TM6 hydrophobic
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole F390 6.51x51 TM6 Van der Waals
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole F391 6.52x52 TM6 aromatic (edge-to-face)
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole F391 6.52x52 TM6 Van der Waals
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole F412 7.39x38 TM7 Van der Waals
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole F412 7.39x38 TM7 aromatic (face-to-face)
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole Y416 7.43x42 TM7 hydrophobic
(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole Y416 7.43x42 TM7 Van der Waals

Ligands

(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole

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Residue Diagrams

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


GPCRdb(A)
GPCRdb(A)
α2A-adrenoceptor
TM3
3x32 3.32x32 D128
3x33 3.33x33 V129
3x36 3.36x36 C132
TM5
5x461 5.46x461 S219
TM6
6x48 6.48x48 W402
6x51 6.51x51 F405
6x52 6.52x52 F406
TM7
7x38 7.39x38 F427
7x42 7.43x42 Y431