PDB
7M3E
Resolution
3.2 Å
Released
June 30, 2021
Receptor
CaS
Class
C
Species
Homo sapiens
Ligands
Calcium
D-tryptophan
NPS 2143
Function
Agonist
Agonist
NAM
Reference
10.1038/S41586-021-03691-0
Calcium D-tryptophan NPS 2143

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Ligand Amino Acid Generic Number Segment Interaction Type
Calcium I81 N-term polar (hydrogen bond with backbone)
Calcium I81 N-term Van der Waals
Calcium S84 N-term Van der Waals
Calcium S84 N-term polar (hydrogen bond with backbone)
Calcium L87 N-term Van der Waals
Calcium L87 N-term polar (hydrogen bond with backbone)
Calcium L88 N-term polar (hydrogen bond with backbone)
Calcium L88 N-term Van der Waals
D-tryptophan S147 N-term polar (hydrogen bond)
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 polar (hydrogen bond with backbone)
D-tryptophan S170 N-term polar (hydrogen bond)
D-tryptophan Y218 N-term hydrophobic
D-tryptophan Y218 N-term Van der Waals
D-tryptophan E297 N-term polar (charge-assisted hydrogen bond)
D-tryptophan A298 N-term Van der Waals
NPS 2143 Q681 3.33x33 TM3 polar (hydrogen bond)
NPS 2143 Q681 3.33x33 TM3 polar (hydrogen bond)
NPS 2143 F684 3.36x36 TM3 Van der Waals
NPS 2143 F684 3.36x36 TM3 hydrophobic
NPS 2143 I777 5.44x44 TM5 hydrophobic
NPS 2143 I777 5.44x44 TM5 Van der Waals
NPS 2143 F814 6.46x46 TM6 hydrophobic
NPS 2143 F814 6.46x46 TM6 Van der Waals
NPS 2143 W818 6.50x50 TM6 polar (hydrogen bond)
NPS 2143 W818 6.50x50 TM6 aromatic (face-to-edge)
NPS 2143 F821 6.53x53 TM6 Van der Waals
NPS 2143 F821 6.53x53 TM6 hydrophobic
NPS 2143 I822 6.54x54 TM6 Van der Waals
NPS 2143 I822 6.54x54 TM6 hydrophobic
NPS 2143 Y825 6.57x57 TM6 Van der Waals
NPS 2143 Y825 6.57x57 TM6 aromatic (face-to-edge)
NPS 2143 E837 7.32x33 TM7 polar (charge-assisted hydrogen bond)
NPS 2143 A840 7.35x36 TM7 hydrophobic
NPS 2143 A840 7.35x36 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

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
TM5
5x44 5.44x44 I777
TM6
6x44 6.46x46 F814
6x48 6.50x50 W818
6x51 6.53x53 F821
6x52 6.54x54 I822
6x55 6.57x57 Y825
TM7
7x38 7.32x33 E837
7x41 7.35x36 A840