PDB
5TGZ
Resolution
2.8 Å
Released
Nov. 2, 2016
Receptor
CB1
Class
A
Species
Homo sapiens
Ligand
Function
AM6538
Antagonist
Reference
10.1016/J.CELL.2016.10.004

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Ligand Amino Acid Generic Number Segment Interaction Type
AM6538 F102 N-term hydrophobic
AM6538 M103 N-term hydrophobic
AM6538 I105 N-term Van der Waals
AM6538 I119 1.35x35 TM1 hydrophobic
AM6538 S123 1.39x39 TM1 Van der Waals
AM6538 G166 2.53x53 TM2 Van der Waals
AM6538 S167 2.54x54 TM2 Van der Waals
AM6538 F170 2.57x57 TM2 aromatic (edge-to-face)
AM6538 F170 2.57x57 TM2 hydrophobic
AM6538 F174 2.61x61 TM2 hydrophobic
AM6538 L193 3.29x29 TM3 hydrophobic
AM6538 V196 3.32x32 TM3 hydrophobic
AM6538 T197 3.33x33 TM3 Van der Waals
AM6538 F268 ECL2 hydrophobic
AM6538 L276 5.40x40 TM5 Van der Waals
AM6538 W279 5.43x43 TM5 Van der Waals
AM6538 W356 6.48x48 TM6 Van der Waals
AM6538 L359 6.51x51 TM6 hydrophobic
AM6538 F379 7.35x34 TM7 hydrophobic
AM6538 A380 7.36x35 TM7 Van der Waals
AM6538 S383 7.39x38 TM7 Van der Waals
AM6538 M384 7.40x39 TM7 Van der Waals
AM6538 C386 7.42x41 TM7 hydrophobic
AM6538 L387 7.43x42 TM7 Van der Waals
AM6538 S390 7.46x46 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
TM1
1x35 1.35x35 I119
1x39 1.39x39 S123
TM2
2x53 2.53x53 G166
2x54 2.54x54 S167
2x57 2.57x57 F170
2x61 2.61x61 F174
TM3
3x29 3.29x29 L193
3x32 3.32x32 V196
3x33 3.33x33 T197
TM5
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
7x39 7.40x39 M384
7x41 7.42x41 C386
7x42 7.43x42 L387
7x46 7.46x46 S390