PDB
9B65
Resolution
3.0 Å
Released
March 5, 2025
Receptor
CB1
Class
A
Species
Homo sapiens
Ligand
MDMB-Fubinaca
Function
Agonist
Reference
10.1038/S41586-025-08618-7

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Ligand Amino Acid Generic Number Segment Interaction Type
MDMB-Fubinaca F170 2.57x57 TM2 hydrophobic
MDMB-Fubinaca F174 2.61x61 TM2 hydrophobic
MDMB-Fubinaca L193 3.29x29 TM3 hydrophobic
MDMB-Fubinaca V196 3.32x32 TM3 hydrophobic
MDMB-Fubinaca T197 3.33x33 TM3 polar (hydrogen bond)
MDMB-Fubinaca F200 3.36x36 TM3 Van der Waals
MDMB-Fubinaca F200 3.36x36 TM3 aromatic (edge-to-face)
MDMB-Fubinaca P269 ECL2 hydrophobic
MDMB-Fubinaca P269 ECL2 Van der Waals
MDMB-Fubinaca I271 ECL2 Van der Waals
MDMB-Fubinaca Y275 5.39x39 TM5 Van der Waals
MDMB-Fubinaca Y275 5.39x39 TM5 hydrophobic
MDMB-Fubinaca L276 5.40x40 TM5 hydrophobic
MDMB-Fubinaca L276 5.40x40 TM5 Van der Waals
MDMB-Fubinaca W279 5.43x43 TM5 Van der Waals
MDMB-Fubinaca W279 5.43x43 TM5 aromatic (face-to-face)
MDMB-Fubinaca L359 6.51x51 TM6 Van der Waals
MDMB-Fubinaca M363 6.55x55 TM6 polar (hydrogen bond)
MDMB-Fubinaca S383 7.39x38 TM7 polar (hydrogen bond)
MDMB-Fubinaca C386 7.42x41 TM7 polar (hydrogen bond)

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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
2x57 2.57x57 F170
2x61 2.61x61 F174
TM3
3x29 3.29x29 L193
3x32 3.32x32 V196
3x33 3.33x33 T197
3x36 3.36x36 F200
TM5
5x39 5.39x39 Y275
5x40 5.40x40 L276
5x43 5.43x43 W279
TM6
6x51 6.51x51 L359
6x55 6.55x55 M363
TM7
7x38 7.39x38 S383
7x41 7.42x41 C386