PDB
9BUE
Resolution
3.6 Å
Released
April 16, 2025
Receptor
CT
Class
B1
Species
Homo sapiens
Ligand
cagrilintide
Function
Agonist
Reference
10.1038/S41467-025-58680-Y

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Ligand Amino Acid Generic Number Segment Interaction Type
cagrilintide D77 N-term polar (charge-assisted hydrogen bond)
cagrilintide G78 N-term Van der Waals
cagrilintide W79 N-term hydrophobic
cagrilintide W79 N-term Van der Waals
cagrilintide D101 N-term polar (charge-assisted hydrogen bond)
cagrilintide W128 N-term Van der Waals
cagrilintide W128 N-term polar (hydrogen bond)
cagrilintide S129 N-term polar (hydrogen bond)
cagrilintide Y131 N-term hydrophobic
cagrilintide Y131 N-term Van der Waals
cagrilintide T132 1.23x23 TM1 Van der Waals
cagrilintide F137 1.28x28 TM1 aromatic (edge-to-face)
cagrilintide F137 1.28x28 TM1 Van der Waals
cagrilintide L142 1.33x33 TM1 hydrophobic
cagrilintide L142 1.33x33 TM1 Van der Waals
cagrilintide A145 1.36x36 TM1 Van der Waals
cagrilintide A145 1.36x36 TM1 hydrophobic
cagrilintide L148 1.39x39 TM1 hydrophobic
cagrilintide L148 1.39x39 TM1 Van der Waals
cagrilintide Y149 1.40x40 TM1 hydrophobic
cagrilintide Y149 1.40x40 TM1 Van der Waals
cagrilintide I198 2.64x64 TM2 Van der Waals
cagrilintide L202 2.68x68 TM2 Van der Waals
cagrilintide V206 ECL1 hydrophobic
cagrilintide V206 ECL1 Van der Waals
cagrilintide P207 ECL1 Van der Waals
cagrilintide P207 ECL1 polar (hydrogen bond with backbone)
cagrilintide L291 45.52x52 ECL2 Van der Waals
cagrilintide L291 45.52x52 ECL2 hydrophobic
cagrilintide V293 ECL2 Van der Waals
cagrilintide V293 ECL2 hydrophobic
cagrilintide E294 ECL2 Van der Waals
cagrilintide Y299 5.37x38 TM5 hydrophobic
cagrilintide Y299 5.37x38 TM5 Van der Waals
cagrilintide H302 5.40x40 TM5 polar (hydrogen bond)
cagrilintide H302 5.40x40 TM5 polar (hydrogen bond)
cagrilintide M306 5.44x44 TM5 hydrophobic
cagrilintide M306 5.44x44 TM5 Van der Waals
cagrilintide F356 6.53x53 TM6 hydrophobic
cagrilintide F356 6.53x53 TM6 Van der Waals
cagrilintide P360 ECL3 polar (hydrogen bond with backbone)
cagrilintide P360 ECL3 Van der Waals
cagrilintide W361 ECL3 hydrophobic
cagrilintide W361 ECL3 Van der Waals
cagrilintide Y372 7.38x37 TM7 Van der Waals
cagrilintide M376 7.42x41 TM7 Van der Waals
cagrilintide H377 7.43x42 TM7 Van der Waals
cagrilintide H381 7.47x46 TM7 Van der Waals

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ICL1 R S L G ICL1ECL1 V P N G E L V R R D ECL1ICL2 A V F T E K Q ICL2ECL2 N D N C W L S V E T H L ECL2ICL3 E ICL3ECL3 R P S ECL3N-term M R F T F T S R C L A L F L L L N H P T P I L P A F S N Q T Y P T I E P K P F L Y V V G R K K M M D A Q Y K C Y D R M Q Q L P A Y Q G E G P Y C N R T W D G W L C W D D T P A G V L S Y Q F C P D Y F P D F D P S E K V T K Y C D E K G V W F K H P E N N R T W S N Y N-termC-term P S N R S A R A A A A A A E A G D I P I Y I C H Q E L R N E P A N N Q G E E S A E I I P L N I I E Q E S S A C-term T M C N A F T P E K L K N A Y V L Y Y L A I V G H S L S I F T L V I S L G I F V F F C Q R V T L H K N M F L T Y I L N S M I I I I H L V E V P V S C K I L H F F H Q Y M M A C N Y F W M L C E G I Y L H T L I V V R L R W Y Y L L G W G F P L V P T T I H A I T R A V Y F L Y I I H G P V M A A L V V N F F F L L N I V R V L V T K M R E T H A E S H M Y L K A V K A T M I L V P L L G I Q F V V F P W N K M L G K I Y D Y V M H S L I H F Q G F F V A T I Y C F C N N E V K R F K I R W G V Q T T Q W A Q Q W N Q R R
Helix box plot — Download: PNG | SVG V L T F I S L S H G V I A L Y Y L V Y A 1 K N M F L T Y I L N S M I I I I H L V E 2 C L M W F Y N C A M M Y Q H F F H L I K 3 R L R W Y Y L G L W G F P L V P T T I H A 4 L F F F N V V L A A M V P G H I I Y L 5 M I L V P L L G I Q F V V F P W 6 T A V F F G Q F H I L S H M V Y D Y I 7

GPCRdb(A)
GPCRdb(B)
CT receptor
TM1
1x19 1.23x23 T132
1x24 1.28x28 F137
1x29 1.33x33 L142
1x32 1.36x36 A145
1x35 1.39x39 L148
1x36 1.40x40 Y149
TM2
2x57 2.64x64 I198
2x61 2.68x68 L202
ECL2
45x52 45.52x52 L291
TM5
5x42 5.37x38 Y299
5x44 5.40x40 H302
5x48 5.44x44 M306
TM6
6x48 6.53x53 F356
TM7
7x33 7.38x37 Y372
7x37 7.42x41 M376
7x38 7.43x42 H377
7x42 7.47x46 H381