PDB
9AXF
Resolution
3.5 Å
Released
April 17, 2024
Receptor
CaS
Class
C
Species
Homo sapiens
Ligands
Function
tecalcet
PAM
CYCLOMETHYLTRYPTOPHAN
Co-agonist
Calcium
Agonist
Reference
10.1038/S41586-024-07331-1
tecalcet CYCLOMETHYLTRYPTOPHAN Calcium

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Ligand Amino Acid Generic Number Segment Interaction Type
CYCLOMETHYLTRYPTOPHAN R66 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN W70 N-term aromatic (edge-to-face)
CYCLOMETHYLTRYPTOPHAN W70 N-term hydrophobic
CYCLOMETHYLTRYPTOPHAN T145 N-term hydrophobic
CYCLOMETHYLTRYPTOPHAN G146 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN S147 N-term polar (hydrogen bond)
CYCLOMETHYLTRYPTOPHAN S147 N-term polar (hydrogen bond with backbone)
CYCLOMETHYLTRYPTOPHAN A168 N-term polar (hydrogen bond with backbone)
CYCLOMETHYLTRYPTOPHAN S169 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN S170 N-term polar (hydrogen bond with backbone)
CYCLOMETHYLTRYPTOPHAN S170 N-term polar (hydrogen bond)
CYCLOMETHYLTRYPTOPHAN I187 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN Y218 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN E297 N-term polar (hydrogen bond)
CYCLOMETHYLTRYPTOPHAN A298 N-term hydrophobic
CYCLOMETHYLTRYPTOPHAN I416 N-term Van der Waals
Calcium G557 N-term metal coordination
Calcium E558 N-term polar (charge-charge)
tecalcet F668 2.56x56 TM2 hydrophobic
tecalcet Q681 3.33x33 TM3 polar (hydrogen bond)
tecalcet F684 3.36x36 TM3 aromatic (edge-to-face)
tecalcet F684 3.36x36 TM3 hydrophobic
tecalcet G685 3.37x37 TM3 Van der Waals
tecalcet I777 5.44x44 TM5 Van der Waals
tecalcet T780 5.47x47 TM5 Van der Waals
tecalcet W818 6.50x50 TM6 aromatic (edge-to-face)
tecalcet W818 6.50x50 TM6 hydrophobic
tecalcet F821 6.53x53 TM6 hydrophobic
tecalcet Y825 6.57x57 TM6 aromatic (edge-to-face)
tecalcet Y825 6.57x57 TM6 hydrophobic
tecalcet V836 7.31x32 TM7 Van der Waals
tecalcet E837 7.32x33 TM7 polar (hydrogen bond)
tecalcet E837 7.32x33 TM7 polar (charge-charge)
tecalcet A840 7.35x36 TM7 hydrophobic
tecalcet 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

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
5x44 5.44x44 I777
5x47 5.47x47 T780
TM6
6x48 6.50x50 W818
6x51 6.53x53 F821
6x55 6.57x57 Y825
TM7
7x37 7.31x32 V836
7x38 7.32x33 E837
7x41 7.35x36 A840
7x42 7.36x37 I841