PDB
6O3C
Resolution
2.8 Å
Released
July 3, 2019
Receptor
SMO
Class
F
Species
Mus musculus
Ligands
SAG21k
Cholesterol
Function
Agonist
Agonist
Reference
10.1038/S41586-019-1355-4
SAG21k Cholesterol

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Ligand Amino Acid Generic Number Segment Interaction Type
SAG21k L225 N-term hydrophobic
Cholesterol W285 2.58x58 TM2 hydrophobic
SAG21k M305 ECL1 hydrophobic
Cholesterol L329 3.36x36 TM3 hydrophobic
Cholesterol V333 3.40x40 TM3 hydrophobic
Cholesterol F395 45.51x51 ECL2 hydrophobic
Cholesterol Y398 ECL2 polar (hydrogen bond)
SAG21k Y398 ECL2 hydrophobic
Cholesterol Y398 ECL2 Van der Waals
Cholesterol V408 5.47x47 TM5 Van der Waals
Cholesterol I412 5.51x51 TM5 Van der Waals
Cholesterol I412 5.51x51 TM5 hydrophobic
Cholesterol V467 6.44x44 TM6 Van der Waals
Cholesterol T470 6.47x47 TM6 Van der Waals
Cholesterol H474 6.51x51 TM6 Van der Waals
SAG21k W484 6.61x61 TM6 polar (hydrogen bond with backbone)
SAG21k W484 6.61x61 TM6 Van der Waals
SAG21k E485 6.62x62 TM6 Van der Waals
SAG21k E485 6.62x62 TM6 polar (hydrogen bond with backbone)
SAG21k F488 6.65x65 TM6 Van der Waals
SAG21k F488 6.65x65 TM6 hydrophobic
SAG21k P517 ECL3 hydrophobic
SAG21k P517 ECL3 Van der Waals
SAG21k E522 7.38x38 TM7 polar (charge-assisted hydrogen bond)
Cholesterol N525 7.41x41 TM7 Van der Waals
Cholesterol L526 7.42x42 TM7 Van der Waals
Cholesterol A528 7.44x44 TM7 Van der Waals
Cholesterol M529 7.45x45 TM7 Van der Waals
Cholesterol M529 7.45x45 TM7 hydrophobic
Cholesterol T532 7.48x48 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 F G E P T S S 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 K P I P D C E I K N R P ECL3N-term M A A G R P V R G P E L A P R R L L Q L L L L V L L G G P G R G A A L S G N V T G P G P H S A S G S S R R D V P V T S P P P P L L S H C G R A A H C E P L R Y N V C L G S A L P Y G A T T 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 H F P E G C P N E V Q N I K F N S S G Q C E A 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 H S D D E P K R I K K S K M I A K A F S K R R 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 V S V T P V A T P V P P E E Q A N M W L V E A E I S P E L E K R L G R K K K R R K R K K E V C P L R P A P E L H H S A P V P A T S A V P R L P Q L P R Q K C L V A A N A W G T G E S C R Q G A W T L V S N P F C P E P S P H Q D P F L P G A S A P R V W A Q G R L Q G L G S I H S R T N L M E A E I L 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 W285
TM3
3x36 3.36x36 L329
3x40 3.40x40 V333
ECL2
45x51 45.51x51 F395
TM5
5x43 5.47x47 V408
5x47 5.51x51 I412
TM6
6x48 6.44x44 V467
6x51 6.47x47 T470
6x55 6.51x51 H474
6x65 6.61x61 W484
6x66 6.62x62 E485
6x69 6.65x65 F488
TM7
7x35 7.38x38 E522
7x38 7.41x41 N525
7x39 7.42x42 L526
7x41 7.44x44 A528
7x42 7.45x45 M529
7x45 7.48x48 T532