PDB
8IKH
Resolution
3.3 Å
Released
June 5, 2024
Receptor
CB1
Class
A
Species
Homo sapiens
Ligand
Function
CB-05
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 hydrophobic
CB-05 F191 3.27x27 TM3 polar (hydrogen bond with backbone)
CB-05 F191 3.27x27 TM3 aromatic (face-to-face)
CB-05 K192 3.28x28 TM3 Van der Waals
CB-05 G194 3.30x30 TM3 Van der Waals
CB-05 G195 3.31x31 TM3 Van der Waals
CB-05 A198 3.34x34 TM3 Van der Waals
CB-05 W241 4.50x50 TM4 Van der Waals
CB-05 I245 4.54x54 TM4 hydrophobic
CB-05 A248 4.57x57 TM4 hydrophobic

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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
3x28 3.28x28 K192
3x30 3.30x30 G194
3x31 3.31x31 G195
3x34 3.34x34 A198
TM4
4x50 4.50x50 W241
4x54 4.54x54 I245
4x57 4.57x57 A248