PDB
6XBM
Resolution
3.2 Å
Released
Sept. 30, 2020
Receptor
SMO
Class
F
Species
Homo sapiens
Ligands
Function
24(S),25-Epoxycholesterol (R:701)
Agonist
24(S),25-Epoxycholesterol (R:702)
Agonist
Reference
10.1038/S41589-020-0646-2
24(S),25-Epoxycholesterol (R:701) 24(S),25-Epoxycholesterol (R:702)

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Ligand Amino Acid Generic Number Segment Interaction Type
24(S),25-Epoxycholesterol (R:702) L197 N-term Van der Waals
24(S),25-Epoxycholesterol (R:702) Y207 N-term hydrophobic
24(S),25-Epoxycholesterol (R:702) I215 N-term hydrophobic
24(S),25-Epoxycholesterol (R:701) N219 N-term Van der Waals
24(S),25-Epoxycholesterol (R:702) N219 N-term Van der Waals
24(S),25-Epoxycholesterol (R:701) F222 N-term hydrophobic
24(S),25-Epoxycholesterol (R:701) W281 2.58x58 TM2 hydrophobic
24(S),25-Epoxycholesterol (R:702) M301 ECL1 hydrophobic
24(S),25-Epoxycholesterol (R:701) L325 3.36x36 TM3 hydrophobic
24(S),25-Epoxycholesterol (R:702) G383 ECL2 Van der Waals
24(S),25-Epoxycholesterol (R:701) D384 ECL2 Van der Waals
24(S),25-Epoxycholesterol (R:701) V386 ECL2 hydrophobic
24(S),25-Epoxycholesterol (R:701) S387 ECL2 Van der Waals
24(S),25-Epoxycholesterol (R:701) F391 45.51x51 ECL2 hydrophobic
24(S),25-Epoxycholesterol (R:701) Y394 ECL2 hydrophobic
24(S),25-Epoxycholesterol (R:702) Y394 ECL2 Van der Waals
24(S),25-Epoxycholesterol (R:701) R400 5.43x44 TM5 Van der Waals
24(S),25-Epoxycholesterol (R:701) I408 5.51x51 TM5 Van der Waals
24(S),25-Epoxycholesterol (R:701) T466 6.47x47 TM6 hydrophobic
24(S),25-Epoxycholesterol (R:701) H470 6.51x51 TM6 Van der Waals
24(S),25-Epoxycholesterol (R:701) D473 6.54x54 TM6 Van der Waals
24(S),25-Epoxycholesterol (R:702) E481 6.62x62 TM6 Van der Waals
24(S),25-Epoxycholesterol (R:702) F484 6.65x65 TM6 hydrophobic
24(S),25-Epoxycholesterol (R:702) R485 6.66x66 TM6 hydrophobic
24(S),25-Epoxycholesterol (R:702) V488 6.69x69 TM6 hydrophobic
24(S),25-Epoxycholesterol (R:701) E518 7.38x38 TM7 hydrophobic
24(S),25-Epoxycholesterol (R:701) N521 7.41x41 TM7 hydrophobic
24(S),25-Epoxycholesterol (R:701) L522 7.42x42 TM7 hydrophobic
24(S),25-Epoxycholesterol (R:701) M525 7.45x45 TM7 hydrophobic

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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
ECL2
45x51 45.51x51 F391
TM5
5x40 5.43x44 R400
5x47 5.51x51 I408
TM6
6x51 6.47x47 T466
6x55 6.51x51 H470
6x58 6.54x54 D473
6x66 6.62x62 E481
6x69 6.65x65 F484
6x70 6.66x66 R485
6x73 6.69x69 V488
TM7
7x35 7.38x38 E518
7x38 7.41x41 N521
7x39 7.42x42 L522
7x42 7.45x45 M525