PDB
8SZG
Resolution
3.6 Å
Released
Feb. 7, 2024
Receptor
CaS
Class
C
Species
Homo sapiens
Ligands
Calcium
D-tryptophan
cinacalcet
spermine
Function
Agonist
Agonist
PAM
Ago-PAM
Reference
10.1038/S41586-024-07055-2
Calcium D-tryptophan cinacalcet spermine

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Ligand Amino Acid Generic Number Segment Interaction Type
Calcium I81 N-term Van der Waals
Calcium I81 N-term polar (hydrogen bond with backbone)
Calcium N82 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 polar (hydrogen bond with backbone)
Calcium L87 N-term Van der Waals
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 S147 N-term Van der Waals
D-tryptophan A168 N-term Van der Waals
D-tryptophan A168 N-term polar (hydrogen bond with backbone)
D-tryptophan S170 N-term polar (hydrogen bond)
D-tryptophan S170 N-term Van der Waals
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
cinacalcet F684 3.36x36 TM3 aromatic (edge-to-face)
spermine E757 ECL2 polar (charge-assisted hydrogen bond)
cinacalcet I777 5.44x44 TM5 hydrophobic
cinacalcet F814 6.46x46 TM6 hydrophobic
cinacalcet W818 6.50x50 TM6 Van der Waals
cinacalcet W818 6.50x50 TM6 aromatic (face-to-edge)
cinacalcet W818 6.50x50 TM6 polar (hydrogen bond with backbone)
cinacalcet F821 6.53x53 TM6 Van der Waals
cinacalcet I822 6.54x54 TM6 hydrophobic
cinacalcet I822 6.54x54 TM6 Van der Waals
cinacalcet Y825 6.57x57 TM6 Van der Waals
cinacalcet Y825 6.57x57 TM6 hydrophobic
cinacalcet 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
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