PDB
7FEE
Resolution
2.7 Å
Released
June 15, 2022
Receptor
CB1
Class
A
Species
Homo sapiens
Ligands
ZCZ011
CP55940
Function
Ago-PAM
Agonist
Reference
10.1038/S41589-022-01038-Y
ZCZ011 CP55940

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Ligand Amino Acid Generic Number Segment Interaction Type
ZCZ011 I169 2.56x56 TM2 hydrophobic
CP55940 F170 2.57x57 TM2 aromatic (edge-to-face)
CP55940 S173 2.60x60 TM2 polar (hydrogen bond)
CP55940 S173 2.60x60 TM2 Van der Waals
CP55940 F174 2.61x61 TM2 hydrophobic
CP55940 F174 2.61x61 TM2 Van der Waals
CP55940 F177 2.64x64 TM2 Van der Waals
CP55940 F177 2.64x64 TM2 hydrophobic
CP55940 F189 3.25x25 TM3 Van der Waals
CP55940 F189 3.25x25 TM3 hydrophobic
ZCZ011 F191 3.27x27 TM3 polar (hydrogen bond with backbone)
ZCZ011 F191 3.27x27 TM3 aromatic (face-to-face)
ZCZ011 F191 3.27x27 TM3 Van der Waals
ZCZ011 K192 3.28x28 TM3 Van der Waals
CP55940 K192 3.28x28 TM3 Van der Waals
CP55940 L193 3.29x29 TM3 hydrophobic
CP55940 L193 3.29x29 TM3 Van der Waals
ZCZ011 G194 3.30x30 TM3 Van der Waals
ZCZ011 G195 3.31x31 TM3 polar (hydrogen bond with backbone)
ZCZ011 G195 3.31x31 TM3 Van der Waals
CP55940 V196 3.32x32 TM3 Van der Waals
CP55940 T197 3.33x33 TM3 Van der Waals
ZCZ011 A198 3.34x34 TM3 Van der Waals
ZCZ011 A198 3.34x34 TM3 hydrophobic
ZCZ011 S199 3.35x35 TM3 Van der Waals
ZCZ011 I245 4.54x54 TM4 Van der Waals
ZCZ011 I245 4.54x54 TM4 hydrophobic
ZCZ011 A248 4.57x57 TM4 hydrophobic
ZCZ011 A248 4.57x57 TM4 Van der Waals
ZCZ011 V249 4.58x58 TM4 Van der Waals
ZCZ011 V249 4.58x58 TM4 hydrophobic
CP55940 I267 ECL2 Van der Waals
CP55940 I267 ECL2 polar (hydrogen bond with backbone)
CP55940 F268 ECL2 Van der Waals
CP55940 F268 ECL2 aromatic (edge-to-face)
CP55940 P269 ECL2 hydrophobic
CP55940 P269 ECL2 Van der Waals
CP55940 W279 5.43x43 TM5 hydrophobic
CP55940 W279 5.43x43 TM5 Van der Waals
CP55940 W356 6.48x48 TM6 hydrophobic
CP55940 W356 6.48x48 TM6 Van der Waals
CP55940 L359 6.51x51 TM6 Van der Waals
CP55940 M363 6.55x55 TM6 hydrophobic
CP55940 M363 6.55x55 TM6 Van der Waals
CP55940 F379 7.35x34 TM7 hydrophobic
CP55940 F379 7.35x34 TM7 Van der Waals
CP55940 S383 7.39x38 TM7 polar (hydrogen bond)
CP55940 S383 7.39x38 TM7 Van der Waals

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Snake plot — Download: PNG | SVG
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
2x56 2.56x56 I169
2x57 2.57x57 F170
2x60 2.60x60 S173
2x61 2.61x61 F174
2x64 2.64x64 F177
TM3
3x25 3.25x25 F189
3x27 3.27x27 F191
3x28 3.28x28 K192
3x29 3.29x29 L193
3x30 3.30x30 G194
3x31 3.31x31 G195
3x32 3.32x32 V196
3x33 3.33x33 T197
3x34 3.34x34 A198
3x35 3.35x35 S199
TM4
4x54 4.54x54 I245
4x57 4.57x57 A248
4x58 4.58x58 V249
TM5
5x43 5.43x43 W279
TM6
6x48 6.48x48 W356
6x51 6.51x51 L359
6x55 6.55x55 M363
TM7
7x34 7.35x34 F379
7x38 7.39x38 S383