PDB
8IKH
Resolution
3.3 Å
Released
June 5, 2024
Receptor
CB1
Class
A
Species
Homo sapiens
Ligand
CB-05
Function
Allosteric agonist
Reference
10.1073/PNAS.2321532121

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Ligand Amino Acid Generic Number Segment Interaction Type
CB-05 L165 2.52x52 TM2 hydrophobic
CB-05 I169 2.56x56 TM2 hydrophobic
CB-05 F191 3.27x27 TM3 polar (hydrogen bond with backbone)
CB-05 F191 3.27x27 TM3 aromatic (face-to-face)
CB-05 F191 3.27x27 TM3 Van der Waals
CB-05 G194 3.30x30 TM3 Van der Waals
CB-05 G195 3.31x31 TM3 polar (hydrogen bond with backbone)
CB-05 G195 3.31x31 TM3 Van der Waals
CB-05 W241 4.50x50 TM4 hydrophobic
CB-05 I245 4.54x54 TM4 hydrophobic
CB-05 I245 4.54x54 TM4 Van der Waals
CB-05 A248 4.57x57 TM4 hydrophobic
CB-05 A248 4.57x57 TM4 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
TM2
2x52 2.52x52 L165
2x56 2.56x56 I169
TM3
3x27 3.27x27 F191
3x30 3.30x30 G194
3x31 3.31x31 G195
TM4
4x50 4.50x50 W241
4x54 4.54x54 I245
4x57 4.57x57 A248