PDB
9B9Y
Resolution
3.5 Å
Released
Nov. 20, 2024
Receptor
CB1
Class
A
Species
Homo sapiens
Ligand
Function
taranabant
Inverse agonist
Reference
10.1038/S41467-024-54206-0

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Ligand Amino Acid Generic Number Segment Interaction Type
taranabant F102 N-term hydrophobic
taranabant M103 N-term hydrophobic
taranabant D104 N-term Van der Waals
taranabant I105 N-term Van der Waals
taranabant F108 N-term hydrophobic
taranabant I119 1.35x35 TM1 Van der Waals
taranabant G166 2.53x53 TM2 Van der Waals
taranabant I169 2.56x56 TM2 Van der Waals
taranabant F170 2.57x57 TM2 hydrophobic
taranabant F170 2.57x57 TM2 aromatic (edge-to-face)
taranabant L193 3.29x29 TM3 hydrophobic
taranabant V196 3.32x32 TM3 hydrophobic
taranabant F268 ECL2 hydrophobic
taranabant W279 5.43x43 TM5 Van der Waals
taranabant W356 6.48x48 TM6 Van der Waals
taranabant L359 6.51x51 TM6 hydrophobic
taranabant M363 6.55x55 TM6 Van der Waals
taranabant F379 7.35x34 TM7 hydrophobic
taranabant A380 7.36x35 TM7 Van der Waals
taranabant S383 7.39x38 TM7 polar (hydrogen bond)
taranabant M384 7.40x39 TM7 hydrophobic
taranabant C386 7.42x41 TM7 Van der Waals

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ICL1 R S L R C ICL1ECL1 F H R K D ECL1ICL2 P L A Y K R I V ICL2ECL2 W N C E K L Q S V C S D I F P H I ECL2ICL3 T Q K S I I I H T S E D G K V Q V T R ICL3ECL3 K M ECL3N-term M K S I L D G L A D T T F R T I T T D L L Y V G S N D I Q Y E D I K G D M A S K L G Y F P Q K F P L T S F R G S P F Q E K M T A G D N P Q L V P A D Q V N I T E F Y N K S L S S F K E N E E N I Q C G E N F M D I E C F M V L N-termC-term S C E G T A Q P L D N S M G D S D C L H K H A N N A A S V H R A A E S C I K S T V K I A K V T M S V S T D T S A E A L C-term N P S Q Q L A I A V L S L T L G T F T V L E N L L V L C V I L H S R P S Y H F I G S L A V A D L L G S V I F V Y S F I D F H V S R N V F L F K L G G V T A S F T A S V G S L F L T A I D R Y I S I H R T R P K A V V A F C L M W T I A I V I A V L P L L G D E T Y L M F W I G V T S V L L L F I V Y A Y M Y I L W K A H S H A V R M I Q R G P D Q A R M D I R L A K T L V L I L V V L I I C W G P L L A I M V Y D V F G N K L I K T V F A F C S M L C L L N S T V N P I I Y A L R S K D F R S L R H A M F P
Helix box plot — Download: PNG | SVG L N E L V T F T G L T L S L V A I A L Q 1 G S L A V A D L L G S V I F V Y S F I D 2 L F L S G V S A T F S A T V G G L K F L 3 A V V A F C L M W T I A I V I A V L P L 4 Y A Y V I F L L L V S T V G I W F M L Y 5 V L I L V V L I I C W G P L L A I M V Y 6 I P N V T S N L L C L M S C F A F V T 7

GPCRdb(A)
GPCRdb(A)
CB1 receptor
TM1
1x35 1.35x35 I119
TM2
2x53 2.53x53 G166
2x56 2.56x56 I169
2x57 2.57x57 F170
TM3
3x29 3.29x29 L193
3x32 3.32x32 V196
TM5
5x43 5.43x43 W279
TM6
6x48 6.48x48 W356
6x51 6.51x51 L359
6x55 6.55x55 M363
TM7
7x34 7.35x34 F379
7x35 7.36x35 A380
7x38 7.39x38 S383
7x39 7.40x39 M384
7x41 7.42x41 C386