PDB
6XBJ
Resolution
3.9 Å
Released
Sept. 30, 2020
Receptor
SMO
Class
F
Species
Homo sapiens
Ligand
Function
Cholesterol
Agonist
Reference
10.1038/S41589-020-0646-2

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Ligand Amino Acid Generic Number Segment Interaction Type
Cholesterol W281 2.58x58 TM2 hydrophobic
Cholesterol L325 3.36x36 TM3 hydrophobic
Cholesterol V329 3.40x40 TM3 hydrophobic
Cholesterol F332 3.43x43 TM3 Van der Waals
Cholesterol F391 45.51x51 ECL2 Van der Waals
Cholesterol Y394 ECL2 polar (hydrogen bond)
Cholesterol V404 5.47x47 TM5 hydrophobic
Cholesterol I408 5.51x51 TM5 hydrophobic
Cholesterol V411 5.54x54 TM5 Van der Waals
Cholesterol A459 6.40x40 TM6 Van der Waals
Cholesterol V463 6.44x44 TM6 hydrophobic
Cholesterol T466 6.47x47 TM6 Van der Waals
Cholesterol H470 6.51x51 TM6 Van der Waals
Cholesterol N521 7.41x41 TM7 hydrophobic
Cholesterol M525 7.45x45 TM7 hydrophobic
Cholesterol T528 7.48x48 TM7 hydrophobic
Cholesterol M532 7.52x52 TM7 Van der Waals

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Snake plot — Download: PNG | SVG
ICL1 W R N S N ICL1ECL1 M D G A R R E I V C R A D G T M R L G E P T S N E T ECL1ICL2 L G T T Y Q P L S G ICL2ECL2 Q V D G D S V S G I C F V G Y K ECL2ICL3 P G L L ICL3ECL3 G L P T K Q P I P D C E I K N R P ECL3N-term M A A A R P A R G P E L P L L G L L L L L L L G D P G R G A A S S G N A T G P G P R S A G G S A R R S A A V T G P P P P L S H C G R A A P C E P L R Y N V C L G S V L P Y G A T S T L L A G D S D S Q E E A H G K L V L W S G L R N A P R C W A V I Q P L L C A V Y M P K C E N D R V E L P S R T L C Q A T R G P C A I V E R E R G W P D F L R C T P D R F P E G C T N E V Q N I K F N S S G Q C E V P L V R T D N P K S W Y E D V E G C G I Q C Q N P L F N-termC-term G Q S D D E P K R I K K S K M I A K A F S K R H E L L Q N P G Q E L S F S M H T V S H D G P V A G L A F D L N E P S A D V S S A W A Q H V T K M V A R R G A I L P Q D I S V T P V A T P V P P E E Q A N L W L V E A E I S P E L Q K R L G R K K K R R K R K K E V C P L A P P P E L H P P A P A P S T I P R L P Q L P R Q K C L V A A G A W G A G D S C R Q G A W T L V S N P F C P E P S P P Q D P F L P S A P A P V A W A H G R R Q G L G P I H S R T N L M D T E L M D A D S D F C-term T E A E H Q D M H S Y I A A F G A V T G L C T L F T L A T F V A D R Y P A V I L F Y V N A C F F V G S I G W L A Q F L S C V I I F V I V Y Y A L M A G V V W F V V L T Y A W H T S F K A K T S Y F H L L T W S L P F V L T V A I L A V A N Y R Y R A G F V L A P I G L V L I V G G Y F L I R G V M T L F S I K S N H S E K A A S K I N E T M L R L G I F G F L A F G F V L I T F S C H F Y D F F N Q A E W E R S F R D Y V L C Q A N V T I S L L V E K I N L F A M F G T G I A M S T W V W T K A W R R L T T L L I T W C R
Helix box plot — Download: PNG | SVG L T C L G T V A G F A A I Y S H M D Q H 1 F Y V N A C F F V G S I G W L A Q F 2 V V F W V V G A M L A Y Y V I V F I I V 3 T S Y F H L L T W S L P F V L T V A I L 4 L F Y G G V I L V L G I P A L V F G A R Y 5 G I F G F L A F G F V L I T F S C H F Y 6 T S M A I G T G F M A F L N I K E V L L 7

GPCRdb(A)
GPCRdb(F)
SMO
TM2
2x57 2.58x58 W281
TM3
3x36 3.36x36 L325
3x40 3.40x40 V329
3x43 3.43x43 F332
ECL2
45x51 45.51x51 F391
TM5
5x43 5.47x47 V404
5x47 5.51x51 I408
5x50 5.54x54 V411
TM6
6x44 6.40x40 A459
6x48 6.44x44 V463
6x51 6.47x47 T466
6x55 6.51x51 H470
TM7
7x38 7.41x41 N521
7x42 7.45x45 M525
7x45 7.48x48 T528
7x49 7.52x52 M532