PDB
8GUT
Resolution
3.0 Å
Released
May 10, 2023
Receptor
CB2
Class
A
Species
Homo sapiens
Ligand
LEI-102
Function
Agonist (partial)
Reference
10.1038/S41467-023-37112-9

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Ligand Amino Acid Generic Number Segment Interaction Type
LEI-102 F87 2.57x57 TM2 aromatic (edge-to-face)
LEI-102 F94 2.64x64 TM2 hydrophobic
LEI-102 F106 3.25x25 TM3 hydrophobic
LEI-102 I110 3.29x29 TM3 hydrophobic
LEI-102 T114 3.33x33 TM3 Van der Waals
LEI-102 T114 3.33x33 TM3 polar (hydrogen bond)
LEI-102 F117 3.36x36 TM3 Van der Waals
LEI-102 F117 3.36x36 TM3 hydrophobic
LEI-102 F183 ECL2 Van der Waals
LEI-102 F183 ECL2 hydrophobic
LEI-102 P184 ECL2 hydrophobic
LEI-102 P184 ECL2 Van der Waals
LEI-102 I186 ECL2 hydrophobic
LEI-102 Y190 5.39x39 TM5 hydrophobic
LEI-102 L191 5.40x40 TM5 Van der Waals
LEI-102 W194 5.43x43 TM5 hydrophobic
LEI-102 W194 5.43x43 TM5 Van der Waals
LEI-102 W258 6.48x48 TM6 Van der Waals
LEI-102 W258 6.48x48 TM6 hydrophobic
LEI-102 M265 6.55x55 TM6 Van der Waals
LEI-102 F281 7.35x34 TM7 hydrophobic
LEI-102 F281 7.35x34 TM7 Van der Waals
LEI-102 S285 7.39x38 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
CB2 receptor
TM2
2x57 2.57x57 F87
2x64 2.64x64 F94
TM3
3x25 3.25x25 F106
3x29 3.29x29 I110
3x33 3.33x33 T114
3x36 3.36x36 F117
TM5
5x39 5.39x39 Y190
5x40 5.40x40 L191
5x43 5.43x43 W194
TM6
6x48 6.48x48 W258
6x55 6.55x55 M265
TM7
7x34 7.35x34 F281
7x38 7.39x38 S285