PDB
7SIM
Resolution
2.7 Å
Released
Jan. 19, 2022
Receptor
CaS
Class
C
Species
Homo sapiens
Ligands
Function
CYCLOMETHYLTRYPTOPHAN
Co-agonist
Calcium (A:907)
Agonist
Calcium (B:907)
Agonist
Reference
10.1073/PNAS.2115849118
CYCLOMETHYLTRYPTOPHAN Calcium (A:907) Calcium (B:907)

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Ligand Amino Acid Generic Number Segment Interaction Type
CYCLOMETHYLTRYPTOPHAN R66 N-term Van der Waals
CYCLOMETHYLTRYPTOPHAN W70 N-term hydrophobic
CYCLOMETHYLTRYPTOPHAN W70 N-term aromatic (edge-to-face)
CYCLOMETHYLTRYPTOPHAN T145 N-term hydrophobic
CYCLOMETHYLTRYPTOPHAN G146 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 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
Calcium (B:907) D234 N-term polar (charge-charge)
CYCLOMETHYLTRYPTOPHAN E297 N-term polar (hydrogen bond)
CYCLOMETHYLTRYPTOPHAN E297 N-term polar (charge-charge)
CYCLOMETHYLTRYPTOPHAN A298 N-term hydrophobic
CYCLOMETHYLTRYPTOPHAN I416 N-term Van der Waals
Calcium (A:907) G557 N-term metal coordination

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

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