PDB
7M3G
Resolution
2.5 Å
Released
June 30, 2021
Receptor
CaS
Class
C
Species
Homo sapiens
Ligands
Function
evocalcet
PAM
D-tryptophan
Co-agonist
etelcalcetide
PAM
Calcium (A:907)
Agonist
Calcium (A:909)
Agonist
Reference
10.1038/S41586-021-03691-0
evocalcet D-tryptophan etelcalcetide Calcium (A:907) Calcium (A:909)

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Ligand Amino Acid Generic Number Segment Interaction Type
D-tryptophan R66 N-term Van der Waals
D-tryptophan W70 N-term aromatic (edge-to-face)
D-tryptophan T145 N-term hydrophobic
D-tryptophan G146 N-term Van der Waals
D-tryptophan S147 N-term polar (hydrogen bond with backbone)
D-tryptophan S147 N-term polar (hydrogen bond)
D-tryptophan A168 N-term hydrophobic
D-tryptophan A168 N-term polar (hydrogen bond with backbone)
D-tryptophan S169 N-term Van der Waals
D-tryptophan S170 N-term polar (hydrogen bond with backbone)
etelcalcetide R172 N-term Van der Waals
etelcalcetide S175 N-term Van der Waals
etelcalcetide K177 N-term Van der Waals
etelcalcetide N189 N-term Van der Waals
etelcalcetide E191 N-term Van der Waals
D-tryptophan Y218 N-term Van der Waals
etelcalcetide K225 N-term polar (hydrogen bond)
etelcalcetide E228 N-term polar (hydrogen bond)
Calcium (A:909) D234 N-term polar (charge-charge)
D-tryptophan E297 N-term polar (charge-charge)
D-tryptophan A298 N-term Van der Waals
D-tryptophan I416 N-term Van der Waals
etelcalcetide D480 N-term polar (hydrogen bond)
etelcalcetide E481 N-term Van der Waals
etelcalcetide C482 N-term covalent bond
etelcalcetide D484 N-term polar (hydrogen bond)
Calcium (A:907) G557 N-term metal coordination
evocalcet Q681 3.33x33 TM3 polar (hydrogen bond)
evocalcet F684 3.36x36 TM3 aromatic (edge-to-face)
evocalcet F684 3.36x36 TM3 hydrophobic
evocalcet G685 3.37x37 TM3 Van der Waals
evocalcet L773 5.40x40 TM5 hydrophobic
evocalcet L776 5.43x43 TM5 Van der Waals
evocalcet I777 5.44x44 TM5 hydrophobic
evocalcet T780 5.47x47 TM5 hydrophobic
evocalcet C781 5.48x48 TM5 Van der Waals
evocalcet F814 6.46x46 TM6 Van der Waals
evocalcet W818 6.50x50 TM6 aromatic (edge-to-face)
evocalcet W818 6.50x50 TM6 hydrophobic
evocalcet I822 6.54x54 TM6 hydrophobic
evocalcet Y825 6.57x57 TM6 aromatic (edge-to-face)
evocalcet E837 7.32x33 TM7 polar (charge-charge)
evocalcet I841 7.36x37 TM7 hydrophobic

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

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

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

Download PDB file

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

Download PDB file

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

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

GPCRdb(A)
GPCRdb(C)
CaS receptor
TM3
3x29 3.33x33 Q681
3x32 3.36x36 F684
3x33 3.37x37 G685
TM5
5x40 5.40x40 L773
5x43 5.43x43 L776
5x44 5.44x44 I777
5x47 5.47x47 T780
5x48 5.48x48 C781
TM6
6x44 6.46x46 F814
6x48 6.50x50 W818
6x52 6.54x54 I822
6x55 6.57x57 Y825
TM7
7x38 7.32x33 E837
7x42 7.36x37 I841