Structure information

CT receptor

PROTEIN CLASS

Class B1 (Secretin)

PDB CODE

9AUC

SPECIES

Homo sapiens

RESOLUTION

2.400

PREFERRED CHAIN

R

REFERENCE

10.1021/ACS.BIOCHEM.4C00114

PUBLICATION DATE

April 24, 2024

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Ligand Interaction Browser

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Ligand Amino Acid Generic Number Segment Interaction Type
Ligand Amino Acid Generic Number Segment Interaction Type
Calcitonin gene-related peptide 1 W79 N-term hydrophobic
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 P100 N-term Van der Waals
Calcitonin gene-related peptide 1 D101 N-term polar (charge-assisted hydrogen bond)
Calcitonin gene-related peptide 1 F102 N-term hydrophobic
Calcitonin gene-related peptide 1 F102 N-term Van der Waals
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 R126 N-term polar (charge-assisted hydrogen bond)
Calcitonin gene-related peptide 1 W128 N-term polar (hydrogen bond)
Calcitonin gene-related peptide 1 W128 N-term polar (hydrogen bond)
Calcitonin gene-related peptide 1 S129 N-term polar (hydrogen bond)
Calcitonin gene-related peptide 1 S129 N-term Van der Waals
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 N135 1.26x26 TM1 polar (hydrogen bond)
Calcitonin gene-related peptide 1 N135 1.26x26 TM1 Van der Waals
Calcitonin gene-related peptide 1 K141 1.32x32 TM1 Van der Waals
Calcitonin gene-related peptide 1 L142 1.33x33 TM1 hydrophobic
Calcitonin gene-related peptide 1 L142 1.33x33 TM1 Van der Waals
Calcitonin gene-related peptide 1 A145 1.36x36 TM1 Van der Waals
Calcitonin gene-related peptide 1 A145 1.36x36 TM1 hydrophobic
Calcitonin gene-related peptide 1 Y146 1.37x37 TM1 polar (hydrogen bond)
Calcitonin gene-related peptide 1 L148 1.39x39 TM1 hydrophobic
Calcitonin gene-related peptide 1 L148 1.39x39 TM1 Van der Waals
Calcitonin gene-related peptide 1 Y149 1.40x40 TM1 Van der Waals
Calcitonin gene-related peptide 1 Y149 1.40x40 TM1 hydrophobic
Calcitonin gene-related peptide 1 Y150 1.41x41 TM1 hydrophobic
Calcitonin gene-related peptide 1 Y150 1.41x41 TM1 Van der Waals
Calcitonin gene-related peptide 1 L151 1.42x42 TM1 Van der Waals
Calcitonin gene-related peptide 1 L151 1.42x42 TM1 hydrophobic
Calcitonin gene-related peptide 1 V154 1.45x45 TM1 hydrophobic
Calcitonin gene-related peptide 1 I198 2.64x64 TM2 Van der Waals
Calcitonin gene-related peptide 1 V206 ECL1 hydrophobic
Calcitonin gene-related peptide 1 V206 ECL1 Van der Waals
Calcitonin gene-related peptide 1 H226 3.36x36 TM3 polar (hydrogen bond)
Calcitonin gene-related peptide 1 H226 3.36x36 TM3 aromatic (face-to-edge)
Calcitonin gene-related peptide 1 M230 3.40x40 TM3 polar (hydrogen bond)
Calcitonin gene-related peptide 1 Y234 3.44x44 TM3 hydrophobic
Calcitonin gene-related peptide 1 Y234 3.44x44 TM3 Van der Waals
Calcitonin gene-related peptide 1 L291 45.52x52 ECL2 Van der Waals
Calcitonin gene-related peptide 1 V293 ECL2 Van der Waals
Calcitonin gene-related peptide 1 V293 ECL2 polar (hydrogen bond with backbone)
Calcitonin gene-related peptide 1 E294 ECL2 polar (hydrogen bond with backbone)
Calcitonin gene-related peptide 1 E294 ECL2 Van der Waals
Calcitonin gene-related peptide 1 H296 ECL2 polar (hydrogen bond)
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 aromatic (face-to-edge)
Calcitonin gene-related peptide 1 H302 5.40x40 TM5 polar (hydrogen bond)
Calcitonin gene-related peptide 1 H302 5.40x40 TM5 polar (hydrogen bond)
Calcitonin gene-related peptide 1 M306 5.44x44 TM5 hydrophobic
Calcitonin gene-related peptide 1 M306 5.44x44 TM5 Van der Waals
Calcitonin gene-related peptide 1 F356 6.53x53 TM6 Van der Waals
Calcitonin gene-related peptide 1 F356 6.53x53 TM6 hydrophobic
Calcitonin gene-related peptide 1 P360 ECL3 Van der Waals
Calcitonin gene-related peptide 1 P360 ECL3 polar (hydrogen bond with backbone)
Calcitonin gene-related peptide 1 W361 ECL3 hydrophobic
Calcitonin gene-related peptide 1 W361 ECL3 Van der Waals
Calcitonin gene-related peptide 1 R362 ECL3 Van der Waals
Calcitonin gene-related peptide 1 Y372 7.38x37 TM7 polar (hydrogen bond)
Calcitonin gene-related peptide 1 D373 7.39x38 TM7 polar (charge-assisted hydrogen bond)
Calcitonin gene-related peptide 1 H377 7.43x42 TM7 polar (hydrogen bond)
Calcitonin gene-related peptide 1 I380 7.46x45 TM7 hydrophobic
Calcitonin gene-related peptide 1 I380 7.46x45 TM7 Van der Waals

Ligands

Calcitonin gene-related peptide 1

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Residue Diagrams

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
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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
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Residue Table


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
1x37 1.41x41 Y150
1x38 1.42x42 L151
1x41 1.45x45 V154
TM2
2x57 2.64x64 I198
TM3
3x32 3.36x36 H226
3x36 3.40x40 M230
3x40 3.44x44 Y234
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
7x34 7.39x38 D373
7x38 7.43x42 H377
7x41 7.46x45 I380