PDB
4QIN
Resolution
2.6 Å
Released
July 23, 2014
Receptor
SMO
Class
F
Species
Homo sapiens
Ligand
SAG1.5
Function
Agonist
Reference
10.1038/NCOMMS5355

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Ligand Amino Acid Generic Number Segment Interaction Type
SAG1.5 N219 N-term polar (hydrogen bond)
SAG1.5 N219 N-term polar (hydrogen bond)
SAG1.5 P220 N-term Van der Waals
SAG1.5 L221 N-term Van der Waals
SAG1.5 L221 N-term hydrophobic
SAG1.5 M301 ECL1 Van der Waals
SAG1.5 M301 ECL1 hydrophobic
SAG1.5 L303 ECL1 Van der Waals
SAG1.5 L303 ECL1 hydrophobic
SAG1.5 D384 ECL2 Van der Waals
SAG1.5 Y394 ECL2 Van der Waals
SAG1.5 Y394 ECL2 hydrophobic
SAG1.5 K395 ECL2 Van der Waals
SAG1.5 D473 6.54x54 TM6 polar (charge-assisted hydrogen bond)
SAG1.5 Q477 6.58x58 TM6 Van der Waals
SAG1.5 W480 6.61x61 TM6 polar (hydrogen bond with backbone)
SAG1.5 W480 6.61x61 TM6 Van der Waals
SAG1.5 E481 6.62x62 TM6 Van der Waals
SAG1.5 E481 6.62x62 TM6 polar (hydrogen bond with backbone)
SAG1.5 F484 6.65x65 TM6 Van der Waals
SAG1.5 F484 6.65x65 TM6 hydrophobic
SAG1.5 P513 ECL3 hydrophobic
SAG1.5 P513 ECL3 Van der Waals
SAG1.5 E518 7.38x38 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
TM6
6x58 6.54x54 D473
6x62 6.58x58 Q477
6x65 6.61x61 W480
6x66 6.62x62 E481
6x69 6.65x65 F484
TM7
7x35 7.38x38 E518