PDB
8WPU
Resolution
3.1 Å
Released
Nov. 22, 2023
Receptor
CaS
Class
C
Species
Homo sapiens
Ligands
Function
cinacalcet
PAM
D-tryptophan
Co-agonist
Calcium (B:1108)
Agonist
Calcium (A:1101)
Agonist
Reference
10.1038/S41422-023-00892-2
cinacalcet D-tryptophan Calcium (B:1108) Calcium (A:1101)

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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 hydrophobic
D-tryptophan T145 N-term hydrophobic
D-tryptophan G146 N-term Van der Waals
D-tryptophan S147 N-term polar (hydrogen bond)
D-tryptophan A168 N-term Van der Waals
D-tryptophan S169 N-term Van der Waals
D-tryptophan S170 N-term Van der Waals
D-tryptophan D216 N-term polar (charge-charge)
D-tryptophan Y218 N-term Van der Waals
Calcium (B:1108) D234 N-term metal coordination
Calcium (B:1108) D234 N-term polar (charge-charge)
D-tryptophan S272 N-term Van der Waals
D-tryptophan E297 N-term Van der Waals
D-tryptophan A298 N-term hydrophobic
D-tryptophan I416 N-term hydrophobic
Calcium (A:1101) G557 N-term metal coordination
cinacalcet F668 2.56x56 TM2 Van der Waals
cinacalcet Q681 3.33x33 TM3 Van der Waals
cinacalcet F684 3.36x36 TM3 hydrophobic
cinacalcet F684 3.36x36 TM3 aromatic (edge-to-face)
cinacalcet G685 3.37x37 TM3 Van der Waals
cinacalcet L773 5.40x40 TM5 Van der Waals
cinacalcet L776 5.43x43 TM5 hydrophobic
cinacalcet I777 5.44x44 TM5 hydrophobic
cinacalcet T780 5.47x47 TM5 hydrophobic
cinacalcet F814 6.46x46 TM6 hydrophobic
cinacalcet W818 6.50x50 TM6 aromatic (edge-to-face)
cinacalcet W818 6.50x50 TM6 hydrophobic
cinacalcet F821 6.53x53 TM6 Van der Waals
cinacalcet I822 6.54x54 TM6 hydrophobic
cinacalcet Y825 6.57x57 TM6 hydrophobic
cinacalcet Y825 6.57x57 TM6 aromatic (edge-to-face)
cinacalcet E837 7.32x33 TM7 polar (charge-charge)
cinacalcet E837 7.32x33 TM7 polar (hydrogen bond)
cinacalcet I841 7.36x37 TM7 hydrophobic

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

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
TM2
2x60 2.56x56 F668
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
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
7x42 7.36x37 I841