PDB
7TYO
Resolution
2.7 Å
Released
March 23, 2022
Receptor
CT
Class
B1
Species
Homo sapiens
Ligand
calcitonin (Human)
Function
Agonist
Reference
10.1126/SCIENCE.ABM9609

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Ligand Amino Acid Generic Number Segment Interaction Type
calcitonin (Human) Y41 N-term aromatic (face-to-edge)
calcitonin (Human) G78 N-term polar (hydrogen bond with backbone)
calcitonin (Human) G78 N-term Van der Waals
calcitonin (Human) W79 N-term hydrophobic
calcitonin (Human) W79 N-term Van der Waals
calcitonin (Human) F99 N-term hydrophobic
calcitonin (Human) F99 N-term Van der Waals
calcitonin (Human) P100 N-term hydrophobic
calcitonin (Human) P100 N-term Van der Waals
calcitonin (Human) D101 N-term polar (charge-assisted hydrogen bond)
calcitonin (Human) F102 N-term hydrophobic
calcitonin (Human) F102 N-term Van der Waals
calcitonin (Human) T127 N-term Van der Waals
calcitonin (Human) W128 N-term polar (hydrogen bond)
calcitonin (Human) W128 N-term Van der Waals
calcitonin (Human) S129 N-term polar (hydrogen bond with backbone)
calcitonin (Human) S129 N-term Van der Waals
calcitonin (Human) Y131 N-term Van der Waals
calcitonin (Human) Y131 N-term hydrophobic
calcitonin (Human) T132 N-term Van der Waals
calcitonin (Human) N135 N-term Van der Waals
calcitonin (Human) A136 N-term Van der Waals
calcitonin (Human) K141 1.32x32 TM1 Van der Waals
calcitonin (Human) L142 1.33x33 TM1 Van der Waals
calcitonin (Human) L142 1.33x33 TM1 hydrophobic
calcitonin (Human) A145 1.36x36 TM1 Van der Waals
calcitonin (Human) A145 1.36x36 TM1 polar (hydrogen bond with backbone)
calcitonin (Human) Y146 1.37x37 TM1 Van der Waals
calcitonin (Human) Y146 1.37x37 TM1 aromatic (face-to-edge)
calcitonin (Human) L148 1.39x39 TM1 Van der Waals
calcitonin (Human) L148 1.39x39 TM1 hydrophobic
calcitonin (Human) Y149 1.40x40 TM1 Van der Waals
calcitonin (Human) Y149 1.40x40 TM1 polar (hydrogen bond with backbone)
calcitonin (Human) I198 2.64x64 TM2 Van der Waals
calcitonin (Human) I198 2.64x64 TM2 hydrophobic
calcitonin (Human) V206 ECL1 Van der Waals
calcitonin (Human) V206 ECL1 polar (hydrogen bond with backbone)
calcitonin (Human) P207 ECL1 Van der Waals
calcitonin (Human) G209 ECL1 Van der Waals
calcitonin (Human) V212 ECL1 Van der Waals
calcitonin (Human) V212 ECL1 hydrophobic
calcitonin (Human) R213 ECL1 Van der Waals
calcitonin (Human) H226 3.36x36 TM3 Van der Waals
calcitonin (Human) Y234 3.44x44 TM3 Van der Waals
calcitonin (Human) Y234 3.44x44 TM3 hydrophobic
calcitonin (Human) L291 45.52x52 ECL2 Van der Waals
calcitonin (Human) L291 45.52x52 ECL2 hydrophobic
calcitonin (Human) S292 ECL2 Van der Waals
calcitonin (Human) V293 ECL2 Van der Waals
calcitonin (Human) V293 ECL2 polar (hydrogen bond with backbone)
calcitonin (Human) E294 ECL2 Van der Waals
calcitonin (Human) L298 5.36x37 TM5 Van der Waals
calcitonin (Human) Y299 5.37x38 TM5 Van der Waals
calcitonin (Human) Y299 5.37x38 TM5 hydrophobic
calcitonin (Human) H302 5.40x40 TM5 Van der Waals
calcitonin (Human) H302 5.40x40 TM5 polar (hydrogen bond)
calcitonin (Human) V305 5.43x43 TM5 Van der Waals
calcitonin (Human) M306 5.44x44 TM5 hydrophobic
calcitonin (Human) M306 5.44x44 TM5 Van der Waals
calcitonin (Human) F356 6.53x53 TM6 polar (hydrogen bond with backbone)
calcitonin (Human) F356 6.53x53 TM6 Van der Waals
calcitonin (Human) F359 6.56x56 TM6 Van der Waals
calcitonin (Human) P360 ECL3 polar (hydrogen bond with backbone)
calcitonin (Human) P360 ECL3 Van der Waals
calcitonin (Human) W361 ECL3 polar (hydrogen bond)
calcitonin (Human) R362 ECL3 Van der Waals
calcitonin (Human) R362 ECL3 polar (hydrogen bond with backbone)
calcitonin (Human) Y372 7.38x37 TM7 Van der Waals
calcitonin (Human) Y372 7.38x37 TM7 hydrophobic
calcitonin (Human) D373 7.39x38 TM7 Van der Waals
calcitonin (Human) M376 7.42x41 TM7 Van der Waals
calcitonin (Human) H377 7.43x42 TM7 aromatic (edge-to-face)
calcitonin (Human) H377 7.43x42 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
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
TM3
3x32 3.36x36 H226
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
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