PDB
9BP3
Resolution
2.2 Å
Released
April 23, 2025
Receptor
CT
Class
B1
Species
Homo sapiens
Ligand
Function
cagrilintide
Agonist
Reference
—

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Ligand Amino Acid Generic Number Segment Interaction Type
cagrilintide D77 N-term Van der Waals
cagrilintide W79 N-term hydrophobic
cagrilintide F94 N-term aromatic (pi-cation)
cagrilintide D97 N-term Van der Waals
cagrilintide F99 N-term hydrophobic
cagrilintide P100 N-term polar (hydrogen bond with backbone)
cagrilintide D101 N-term polar (hydrogen bond)
cagrilintide F102 N-term polar (hydrogen bond with backbone)
cagrilintide F102 N-term hydrophobic
cagrilintide D103 N-term Van der Waals
cagrilintide P104 N-term Van der Waals
cagrilintide H121 N-term Van der Waals
cagrilintide E123 N-term Van der Waals
cagrilintide N124 N-term polar (hydrogen bond)
cagrilintide R126 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 N135 1.26x26 TM1 Van der Waals
cagrilintide K141 1.32x32 TM1 hydrophobic
cagrilintide K141 1.32x32 TM1 aromatic (pi-cation)
cagrilintide L142 1.33x33 TM1 Van der Waals
cagrilintide A145 1.36x36 TM1 hydrophobic
cagrilintide Y146 1.37x37 TM1 hydrophobic
cagrilintide L148 1.39x39 TM1 hydrophobic
cagrilintide Y149 1.40x40 TM1 aromatic (edge-to-face)
cagrilintide Y149 1.40x40 TM1 hydrophobic
cagrilintide I198 2.64x64 TM2 Van der Waals
cagrilintide H201 2.67x67 TM2 Van der Waals
cagrilintide L202 2.68x68 TM2 Van der Waals
cagrilintide V206 ECL1 hydrophobic
cagrilintide P207 ECL1 hydrophobic
cagrilintide G209 ECL1 Van der Waals
cagrilintide V212 ECL1 Van der Waals
cagrilintide H226 3.36x36 TM3 Van der Waals
cagrilintide Q227 3.37x37 TM3 Van der Waals
cagrilintide M230 3.40x40 TM3 Van der Waals
cagrilintide Y234 3.44x44 TM3 hydrophobic
cagrilintide L291 45.52x52 ECL2 Van der Waals
cagrilintide S292 ECL2 Van der Waals
cagrilintide V293 ECL2 hydrophobic
cagrilintide E294 ECL2 polar (hydrogen bond with backbone)
cagrilintide E294 ECL2 polar (charge-charge)
cagrilintide H296 ECL2 Van der Waals
cagrilintide L298 5.36x37 TM5 hydrophobic
cagrilintide Y299 5.37x38 TM5 hydrophobic
cagrilintide H302 5.40x40 TM5 Van der Waals
cagrilintide V305 5.43x43 TM5 hydrophobic
cagrilintide M306 5.44x44 TM5 Van der Waals
cagrilintide L309 5.47x47 TM5 Van der Waals
cagrilintide F356 6.53x53 TM6 hydrophobic
cagrilintide F359 6.56x56 TM6 Van der Waals
cagrilintide P360 ECL3 polar (hydrogen bond with backbone)
cagrilintide W361 ECL3 hydrophobic
cagrilintide R362 ECL3 Van der Waals
cagrilintide Y372 7.38x37 TM7 Van der Waals
cagrilintide D373 7.39x38 TM7 polar (charge-charge)
cagrilintide M376 7.42x41 TM7 hydrophobic
cagrilintide H377 7.43x42 TM7 Van der Waals
cagrilintide I380 7.46x45 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
1x22 1.26x26 N135
1x28 1.32x32 K141
1x29 1.33x33 L142
1x32 1.36x36 A145
1x33 1.37x37 Y146
1x35 1.39x39 L148
1x36 1.40x40 Y149
TM2
2x57 2.64x64 I198
2x60 2.67x67 H201
2x61 2.68x68 L202
TM3
3x32 3.36x36 H226
3x33 3.37x37 Q227
3x36 3.40x40 M230
3x40 3.44x44 Y234
ECL2
45x52 45.52x52 L291
TM5
5x41 5.36x37 L298
5x42 5.37x38 Y299
5x44 5.40x40 H302
5x47 5.43x43 V305
5x48 5.44x44 M306
5x51 5.47x47 L309
TM6
6x48 6.53x53 F356
6x51 6.56x56 F359
TM7
7x33 7.38x37 Y372
7x34 7.39x38 D373
7x37 7.42x41 M376
7x38 7.43x42 H377
7x41 7.46x45 I380
7x42 7.47x46 H381