PDB
9AUC
Resolution
2.4 Å
Released
April 24, 2024
Receptor
CT
Class
B1
Species
Homo sapiens
Ligand
Function
Calcitonin gene-related peptide 1
Agonist
Reference
10.1021/ACS.BIOCHEM.4C00114

NGL is a WebGL based 3D viewer powered by MMTF.

Download PDB file
Download list in excel
Ligand Amino Acid Generic Number Segment Interaction Type
Calcitonin gene-related peptide 1 D77 N-term Van der Waals
Calcitonin gene-related peptide 1 G78 N-term Van der Waals
Calcitonin gene-related peptide 1 W79 N-term hydrophobic
Calcitonin gene-related peptide 1 W79 N-term aromatic (edge-to-face)
Calcitonin gene-related peptide 1 F99 N-term hydrophobic
Calcitonin gene-related peptide 1 P100 N-term polar (hydrogen bond with backbone)
Calcitonin gene-related peptide 1 D101 N-term polar (hydrogen bond)
Calcitonin gene-related peptide 1 F102 N-term hydrophobic
Calcitonin gene-related peptide 1 D103 N-term polar (charge-charge)
Calcitonin gene-related peptide 1 P104 N-term Van der Waals
Calcitonin gene-related peptide 1 H121 N-term Van der Waals
Calcitonin gene-related peptide 1 E123 N-term Van der Waals
Calcitonin gene-related peptide 1 N124 N-term Van der Waals
Calcitonin gene-related peptide 1 R126 N-term Van der Waals
Calcitonin gene-related peptide 1 W128 N-term Van der Waals
Calcitonin gene-related peptide 1 W128 N-term polar (hydrogen bond)
Calcitonin gene-related peptide 1 S129 N-term polar (hydrogen bond with backbone)
Calcitonin gene-related peptide 1 Y131 N-term hydrophobic
Calcitonin gene-related peptide 1 Y131 N-term Van der Waals
Calcitonin gene-related peptide 1 T132 1.23x23 TM1 Van der Waals
Calcitonin gene-related peptide 1 N135 1.26x26 TM1 Van der Waals
Calcitonin gene-related peptide 1 K141 1.32x32 TM1 hydrophobic
Calcitonin gene-related peptide 1 L142 1.33x33 TM1 hydrophobic
Calcitonin gene-related peptide 1 K143 1.34x34 TM1 Van der Waals
Calcitonin gene-related peptide 1 A145 1.36x36 TM1 hydrophobic
Calcitonin gene-related peptide 1 Y146 1.37x37 TM1 hydrophobic
Calcitonin gene-related peptide 1 L148 1.39x39 TM1 Van der Waals
Calcitonin gene-related peptide 1 Y149 1.40x40 TM1 hydrophobic
Calcitonin gene-related peptide 1 I198 2.64x64 TM2 Van der Waals
Calcitonin gene-related peptide 1 H201 2.67x67 TM2 Van der Waals
Calcitonin gene-related peptide 1 L202 2.68x68 TM2 Van der Waals
Calcitonin gene-related peptide 1 V206 ECL1 hydrophobic
Calcitonin gene-related peptide 1 H226 3.36x36 TM3 polar (hydrogen bond)
Calcitonin gene-related peptide 1 M230 3.40x40 TM3 Van der Waals
Calcitonin gene-related peptide 1 Y234 3.44x44 TM3 hydrophobic
Calcitonin gene-related peptide 1 L291 45.52x52 ECL2 Van der Waals
Calcitonin gene-related peptide 1 V293 ECL2 hydrophobic
Calcitonin gene-related peptide 1 V293 ECL2 polar (hydrogen bond with backbone)
Calcitonin gene-related peptide 1 E294 ECL2 polar (charge-charge)
Calcitonin gene-related peptide 1 H296 ECL2 polar (hydrogen bond)
Calcitonin gene-related peptide 1 L298 5.36x37 TM5 hydrophobic
Calcitonin gene-related peptide 1 Y299 5.37x38 TM5 hydrophobic
Calcitonin gene-related peptide 1 Y299 5.37x38 TM5 polar (hydrogen bond)
Calcitonin gene-related peptide 1 Y299 5.37x38 TM5 polar (hydrogen bond)
Calcitonin gene-related peptide 1 H302 5.40x40 TM5 Van der Waals
Calcitonin gene-related peptide 1 V305 5.43x43 TM5 hydrophobic
Calcitonin gene-related peptide 1 M306 5.44x44 TM5 hydrophobic
Calcitonin gene-related peptide 1 L309 5.47x47 TM5 Van der Waals
Calcitonin gene-related peptide 1 F356 6.53x53 TM6 hydrophobic
Calcitonin gene-related peptide 1 F359 6.56x56 TM6 Van der Waals
Calcitonin gene-related peptide 1 P360 ECL3 Van der Waals
Calcitonin gene-related peptide 1 W361 ECL3 hydrophobic
Calcitonin gene-related peptide 1 Y372 7.38x37 TM7 Van der Waals
Calcitonin gene-related peptide 1 M376 7.42x41 TM7 hydrophobic
Calcitonin gene-related peptide 1 H377 7.43x42 TM7 Van der Waals
Calcitonin gene-related peptide 1 I380 7.46x45 TM7 hydrophobic
Calcitonin gene-related peptide 1 H381 7.47x46 TM7 Van der Waals

NGL is a WebGL based 3D viewer powered by MMTF.

Download PDB file

Snake plot — Download: PNG | SVG
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
1x22 1.26x26 N135
1x28 1.32x32 K141
1x29 1.33x33 L142
1x30 1.34x34 K143
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
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
7x37 7.42x41 M376
7x38 7.43x42 H377
7x41 7.46x45 I380
7x42 7.47x46 H381