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

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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 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 Van der Waals
Calcium L88 N-term polar (hydrogen bond with backbone)
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 Van der Waals
D-tryptophan S170 N-term polar (hydrogen bond with backbone)
D-tryptophan S170 N-term polar (hydrogen bond)
D-tryptophan Y218 N-term Van der Waals
D-tryptophan Y218 N-term hydrophobic
D-tryptophan E297 N-term polar (charge-assisted hydrogen bond)
D-tryptophan A298 N-term Van der Waals
D-tryptophan A298 N-term hydrophobic
cinacalcet Q681 3.33x33 TM3 polar (hydrogen bond)
cinacalcet Q681 3.33x33 TM3 Van der Waals
cinacalcet F684 3.36x36 TM3 aromatic (edge-to-face)
cinacalcet F684 3.36x36 TM3 Van der Waals
cinacalcet G685 3.37x37 TM3 Van der Waals
cinacalcet L776 5.43x43 TM5 Van der Waals
cinacalcet I777 5.44x44 TM5 Van der Waals
cinacalcet I777 5.44x44 TM5 hydrophobic
cinacalcet T780 5.47x47 TM5 Van der Waals
cinacalcet W818 6.50x50 TM6 aromatic (edge-to-face)
cinacalcet W818 6.50x50 TM6 Van der Waals
cinacalcet Y825 6.57x57 TM6 hydrophobic
cinacalcet Y825 6.57x57 TM6 Van der Waals

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

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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
5x43 5.43x43 L776
5x44 5.44x44 I777
5x47 5.47x47 T780
TM6
6x48 6.50x50 W818
6x55 6.57x57 Y825