Structure information

SMO

PROTEIN CLASS

Class F (Frizzled)

PDB CODE

4JKV

SPECIES

Homo sapiens

RESOLUTION

2.450

PREFERRED CHAIN

A

PUBLICATION DATE

April 24, 2013

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Ligand Interaction Browser

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Ligand Amino Acid Generic Number Segment Interaction Type
Ligand Amino Acid Generic Number Segment Interaction Type
Taladegib N219 N-term polar (hydrogen bond)
Taladegib W281 2.58x58 TM2 aromatic (edge-to-face)
Taladegib V386 ECL2 hydrophobic
Taladegib Y394 ECL2 aromatic (edge-to-face)
Taladegib K395 ECL2 polar (charge-assisted hydrogen bond)
Taladegib R400 5.43x44 TM5 polar (charge-assisted hydrogen bond)
Taladegib R400 5.43x44 TM5 polar (charge-assisted hydrogen bond)
Taladegib H470 6.51x51 TM6 aromatic (edge-to-face)
Taladegib W480 6.61x61 TM6 polar (hydrogen bond with backbone)
Taladegib E481 6.62x62 TM6 polar (hydrogen bond with backbone)
Taladegib F484 6.65x65 TM6 aromatic (face-to-face)
Taladegib P513 ECL3 hydrophobic
Taladegib E518 7.38x38 TM7 polar (charge-assisted hydrogen bond)
Taladegib E518 7.38x38 TM7 polar (charge-assisted hydrogen bond)
Taladegib L522 7.42x42 TM7 hydrophobic

Ligands

Taladegib

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Residue Diagrams

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
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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
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Residue Table


GPCRdb(A)
GPCRdb(F)
SMO
TM2
2x57 2.58x58 W281
TM5
5x40 5.43x44 R400
TM6
6x55 6.51x51 H470
6x65 6.61x61 W480
6x66 6.62x62 E481
6x69 6.65x65 F484
TM7
7x35 7.38x38 E518
7x39 7.42x42 L522