PDB
4N4W
Resolution
2.8 Å
Released
Jan. 22, 2014
Receptor
SMO
Class
F
Species
Homo sapiens
Ligand
Function
SANT-1
Antagonist
Reference
10.1038/NCOMMS5355

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Ligand Amino Acid Generic Number Segment Interaction Type
SANT-1 M230 1.32x32 TM1 hydrophobic
SANT-1 F274 2.51x51 TM2 hydrophobic
SANT-1 W281 2.58x58 TM2 hydrophobic
SANT-1 W281 2.58x58 TM2 aromatic (edge-to-face)
SANT-1 L325 3.36x36 TM3 hydrophobic
SANT-1 M326 3.37x37 TM3 Van der Waals
SANT-1 V329 3.40x40 TM3 hydrophobic
SANT-1 D384 ECL2 Van der Waals
SANT-1 V386 ECL2 hydrophobic
SANT-1 S387 ECL2 Van der Waals
SANT-1 I389 ECL2 hydrophobic
SANT-1 F391 45.51x51 ECL2 hydrophobic
SANT-1 Y394 ECL2 polar (hydrogen bond)
SANT-1 R400 5.43x44 TM5 aromatic (pi-cation)
SANT-1 V404 5.47x47 TM5 Van der Waals
SANT-1 I408 5.51x51 TM5 Van der Waals
SANT-1 V463 6.44x44 TM6 hydrophobic
SANT-1 T466 6.47x47 TM6 hydrophobic
SANT-1 H470 6.51x51 TM6 polar (hydrogen bond)
SANT-1 E518 7.38x38 TM7 hydrophobic
SANT-1 N521 7.41x41 TM7 hydrophobic
SANT-1 L522 7.42x42 TM7 hydrophobic
SANT-1 M525 7.45x45 TM7 hydrophobic
SANT-1 T528 7.48x48 TM7 hydrophobic

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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
TM1
1x35 1.32x32 M230
TM2
2x50 2.51x51 F274
2x57 2.58x58 W281
TM3
3x36 3.36x36 L325
3x37 3.37x37 M326
3x40 3.40x40 V329
ECL2
45x51 45.51x51 F391
TM5
5x40 5.43x44 R400
5x43 5.47x47 V404
5x47 5.51x51 I408
TM6
6x48 6.44x44 V463
6x51 6.47x47 T466
6x55 6.51x51 H470
TM7
7x35 7.38x38 E518
7x38 7.41x41 N521
7x39 7.42x42 L522
7x42 7.45x45 M525
7x45 7.48x48 T528