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

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Ligand Amino Acid Generic Number Segment Interaction Type
Calcium P39 N-term hydrophobic
CYCLOMETHYLTRYPTOPHAN W70 N-term aromatic (edge-to-face)
Calcium T100 N-term polar (charge-assisted hydrogen bond)
Calcium N102 N-term Van der Waals
Calcium A144 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN T145 N-term polar (hydrogen bond with backbone)
Calcium T145 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN T145 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN G146 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN S147 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN S147 N-term polar (hydrogen bond with backbone)
CYCLOMETHYLTRYPTOPHAN S147 N-term polar (hydrogen bond)
CYCLOMETHYLTRYPTOPHAN A168 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN A168 N-term polar (hydrogen bond with backbone)
CYCLOMETHYLTRYPTOPHAN S169 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN S170 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN S170 N-term polar (hydrogen bond with backbone)
CYCLOMETHYLTRYPTOPHAN S170 N-term polar (hydrogen bond)
CYCLOMETHYLTRYPTOPHAN Y218 N-term hydrophobic
CYCLOMETHYLTRYPTOPHAN Y218 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN E297 N-term polar (charge-assisted hydrogen bond)
CYCLOMETHYLTRYPTOPHAN A298 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN A298 N-term hydrophobic
tecalcet Q681 3.33x33 TM3 Van der Waals
tecalcet Q681 3.33x33 TM3 polar (hydrogen bond)
tecalcet F684 3.36x36 TM3 aromatic (edge-to-face)
tecalcet F684 3.36x36 TM3 Van der Waals
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 Van der Waals
tecalcet W818 6.50x50 TM6 aromatic (face-to-edge)
tecalcet F821 6.53x53 TM6 hydrophobic
tecalcet F821 6.53x53 TM6 Van der Waals
tecalcet Y825 6.57x57 TM6 Van der Waals
tecalcet Y825 6.57x57 TM6 aromatic (face-to-edge)
tecalcet E837 7.32x33 TM7 polar (charge-assisted hydrogen bond)

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

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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
5x44 5.44x44 I777
5x47 5.47x47 T780
TM6
6x48 6.50x50 W818
6x51 6.53x53 F821
6x55 6.57x57 Y825
TM7
7x38 7.32x33 E837