PDB
7SIL
Resolution
2.7 Å
Released
Jan. 19, 2022
Receptor
CaS
Class
C
Species
Homo sapiens
Ligands
CYCLOMETHYLTRYPTOPHAN
Calcium
tecalcet
Function
Agonist
Agonist
PAM
Reference
10.1073/PNAS.2115849118
CYCLOMETHYLTRYPTOPHAN Calcium tecalcet

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Ligand Amino Acid Generic Number Segment Interaction Type
CYCLOMETHYLTRYPTOPHAN W70 N-term aromatic (edge-to-face)
Calcium I81 N-term polar (hydrogen bond with backbone)
Calcium I81 N-term Van der Waals
Calcium N82 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 Van der Waals
Calcium L88 N-term polar (hydrogen bond with backbone)
CYCLOMETHYLTRYPTOPHAN S147 N-term polar (hydrogen bond)
CYCLOMETHYLTRYPTOPHAN S147 N-term polar (hydrogen bond with backbone)
CYCLOMETHYLTRYPTOPHAN S147 N-term polar (hydrogen bond)
CYCLOMETHYLTRYPTOPHAN A168 N-term polar (hydrogen bond with backbone)
CYCLOMETHYLTRYPTOPHAN A168 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN S169 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN S170 N-term polar (hydrogen bond)
CYCLOMETHYLTRYPTOPHAN S170 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN S170 N-term polar (hydrogen bond with backbone)
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 hydrophobic
CYCLOMETHYLTRYPTOPHAN A298 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN I416 N-term hydrophobic
tecalcet Q681 3.33x33 TM3 polar (hydrogen bond)
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 L773 5.40x40 TM5 hydrophobic
tecalcet L773 5.40x40 TM5 Van der Waals
tecalcet L776 5.43x43 TM5 Van der Waals
tecalcet L776 5.43x43 TM5 hydrophobic
tecalcet I777 5.44x44 TM5 hydrophobic
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 Y825 6.57x57 TM6 hydrophobic
tecalcet Y825 6.57x57 TM6 Van der Waals
tecalcet E837 7.32x33 TM7 polar (charge-assisted hydrogen bond)

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NGL is a WebGL based 3D viewer powered by MMTF.

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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
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
6x48 6.50x50 W818
6x55 6.57x57 Y825
TM7
7x38 7.32x33 E837