PDB
8WU1
Resolution
3.2 Å
Released
March 20, 2024
Receptor
CB1
Class
A
Species
Homo sapiens
Ligand
Function
MDMB-Fubinaca
Agonist
Reference
10.1016/J.CELL.2023.11.017

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Ligand Amino Acid Generic Number Segment Interaction Type
MDMB-Fubinaca F170 2.57x57 TM2 hydrophobic
MDMB-Fubinaca S173 2.60x60 TM2 Van der Waals
MDMB-Fubinaca F174 2.61x61 TM2 hydrophobic
MDMB-Fubinaca F177 2.64x64 TM2 hydrophobic
MDMB-Fubinaca F189 3.25x25 TM3 Van der Waals
MDMB-Fubinaca L193 3.29x29 TM3 hydrophobic
MDMB-Fubinaca V196 3.32x32 TM3 Van der Waals
MDMB-Fubinaca T197 3.33x33 TM3 Van der Waals
MDMB-Fubinaca F200 3.36x36 TM3 hydrophobic
MDMB-Fubinaca F200 3.36x36 TM3 aromatic (face-to-face)
MDMB-Fubinaca F268 ECL2 aromatic (edge-to-face)
MDMB-Fubinaca F268 ECL2 hydrophobic
MDMB-Fubinaca I271 ECL2 Van der Waals
MDMB-Fubinaca Y275 5.39x39 TM5 hydrophobic
MDMB-Fubinaca L276 5.40x40 TM5 hydrophobic
MDMB-Fubinaca W279 5.43x43 TM5 hydrophobic
MDMB-Fubinaca W356 6.48x48 TM6 Van der Waals
MDMB-Fubinaca L359 6.51x51 TM6 hydrophobic
MDMB-Fubinaca F379 7.35x34 TM7 Van der Waals
MDMB-Fubinaca A380 7.36x35 TM7 Van der Waals
MDMB-Fubinaca S383 7.39x38 TM7 polar (hydrogen bond)
MDMB-Fubinaca 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
TM2
2x57 2.57x57 F170
2x60 2.60x60 S173
2x61 2.61x61 F174
2x64 2.64x64 F177
TM3
3x25 3.25x25 F189
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
6x48 6.48x48 W356
6x51 6.51x51 L359
TM7
7x34 7.35x34 F379
7x35 7.36x35 A380
7x38 7.39x38 S383
7x41 7.42x41 C386