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

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Ligand Amino Acid Generic Number Segment Interaction Type
D-tryptophan W70 N-term aromatic (edge-to-face)
Calcium I81 N-term polar (hydrogen bond with backbone)
Calcium I81 N-term Van der Waals
Calcium N82 N-term Van der Waals
Calcium N82 N-term polar (hydrogen bond with backbone)
Calcium S84 N-term polar (hydrogen bond with backbone)
Calcium S84 N-term Van der Waals
Calcium L87 N-term polar (hydrogen bond with backbone)
Calcium L87 N-term Van der Waals
Calcium L88 N-term Van der Waals
Calcium L88 N-term polar (hydrogen bond with backbone)
D-tryptophan S147 N-term polar (hydrogen bond)
D-tryptophan S147 N-term polar (hydrogen bond with backbone)
D-tryptophan A168 N-term Van der Waals
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)
D-tryptophan S170 N-term Van der Waals
D-tryptophan S170 N-term polar (hydrogen bond with backbone)
etelcalcetide R172 N-term polar (charge-assisted hydrogen bond)
etelcalcetide S175 N-term Van der Waals
etelcalcetide E191 N-term polar (charge-assisted hydrogen bond)
D-tryptophan Y218 N-term Van der Waals
D-tryptophan Y218 N-term hydrophobic
etelcalcetide K225 N-term polar (charge-assisted hydrogen bond)
etelcalcetide E228 N-term polar (charge-assisted hydrogen bond)
D-tryptophan E297 N-term Van der Waals
D-tryptophan A298 N-term Van der Waals
D-tryptophan A298 N-term hydrophobic
etelcalcetide D480 N-term polar (charge-assisted hydrogen bond)
etelcalcetide C482 N-term polar (hydrogen bond)
etelcalcetide C482 N-term polar (hydrogen bond)
etelcalcetide D484 N-term polar (charge-assisted hydrogen bond)
evocalcet Q681 3.33x33 TM3 polar (hydrogen bond)
evocalcet Q681 3.33x33 TM3 polar (hydrogen bond)
evocalcet F684 3.36x36 TM3 Van der Waals
evocalcet F684 3.36x36 TM3 aromatic (edge-to-face)
evocalcet G685 3.37x37 TM3 Van der Waals
evocalcet L773 5.40x40 TM5 hydrophobic
evocalcet I777 5.44x44 TM5 hydrophobic
evocalcet I777 5.44x44 TM5 Van der Waals
evocalcet T780 5.47x47 TM5 Van der Waals
evocalcet C781 5.48x48 TM5 Van der Waals
evocalcet W818 6.50x50 TM6 polar (hydrogen bond with backbone)
evocalcet W818 6.50x50 TM6 Van der Waals
evocalcet I822 6.54x54 TM6 hydrophobic
evocalcet I822 6.54x54 TM6 Van der Waals
evocalcet Y825 6.57x57 TM6 hydrophobic
evocalcet Y825 6.57x57 TM6 Van der Waals
evocalcet E837 7.32x33 TM7 Van der Waals

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.

Download PDB file

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
5x44 5.44x44 I777
5x47 5.47x47 T780
5x48 5.48x48 C781
TM6
6x48 6.50x50 W818
6x52 6.54x54 I822
6x55 6.57x57 Y825
TM7
7x38 7.32x33 E837