PDB
6UP7
Resolution
4.2 Å
Released
Feb. 26, 2020
Receptor
NTS1
Class
A
Species
Homo sapiens
Ligands
NTS8–13
PIO
Function
Agonist
PAM
Reference
10.1038/S41586-020-1953-1
NTS8–13 PIO

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Ligand Amino Acid Generic Number Segment Interaction Type
NTS8–13 L54 N-term polar (hydrogen bond with backbone)
NTS8–13 L54 N-term Van der Waals
PIO F86 1.55x55 TM1 hydrophobic
PIO F86 1.55x55 TM1 Van der Waals
PIO A89 1.58x58 TM1 hydrophobic
PIO A89 1.58x58 TM1 Van der Waals
PIO Y103 2.41x41 TM2 Van der Waals
PIO Y103 2.41x41 TM2 polar (hydrogen bond)
NTS8–13 F127 2.65x64 TM2 Van der Waals
NTS8–13 F127 2.65x64 TM2 hydrophobic
NTS8–13 H131 ECL1 Van der Waals
NTS8–13 Y145 3.29x29 TM3 Van der Waals
NTS8–13 Y145 3.29x29 TM3 polar (hydrogen bond)
PIO R182 4.39x39 TM4 polar (charge-assisted hydrogen bond)
NTS8–13 T225 45.51x51 ECL2 Van der Waals
NTS8–13 F326 6.58x58 TM6 hydrophobic
NTS8–13 F326 6.58x58 TM6 Van der Waals
NTS8–13 I329 ECL3 hydrophobic
NTS8–13 W334 ECL3 Van der Waals
NTS8–13 Y342 7.31x30 TM7 Van der Waals
NTS8–13 Y342 7.31x30 TM7 polar (hydrogen bond)
NTS8–13 Y346 7.35x34 TM7 hydrophobic

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PIO

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Snake plot — Download: PNG | SVG
ICL1 K S L Q ICL1ECL1 H H P W A F ECL1ICL2 P F K A K T L M ICL2ECL2 G E Q N R S A D G Q H A G G L V C T P T I ECL2ICL3 Q V C T V G G E H S T F S M A I E ICL3ECL3 S D E Q W ECL3N-term M R L N S S A P G T P G T P A A D P F Q R A Q A G L E E A L L A P G F G N A S G N A S E R V L A A P S S E L D V N T N-termC-term P V W R R R R K R P A F S R K A D S V S S N H T L S S N A T R E T L Y C-term D I Y S K V L V T A V Y L A L F V V G T V G N T V T A F T L A R K S L Q S T V H Y H L G S L A L S D L L T L L L A M P V E L Y N F I W V G D A G C R G Y Y F L R D A C T Y A T A L N V A S L S V E R Y L A I C H S R S R T K K F I S A I W L A S A L L A V P M L F T M H T A T V K V V I Q V N T F M S F I F P M V V I S V L N T I I A N K L T V M V R Q A A E Q G P G R V Q A L R H G V R V L R A V V I A F V V C W L P Y H V R R L M F C Y I T P F L Y D F Y H Y F Y M V T N A L F Y V S S T I N P I L Y N L V S A N F L A L C F R H I T L A C
Helix box plot — Download: PNG | SVG T N G V T G V V F L A L Y V A T V L V K 1 G S L A L S D L L T L L L A M P V E L Y N 2 S A V N L A T A Y T C A D R L F Y Y G R 3 T K K F I S A I W L A S A L L A V P M 4 N L V S I V V M P F I F S M F T N V Q I V 5 R A V V I A F V V C W L P Y H V R R L M 6 I P N I T S S V Y F L A N T V M Y F Y 7

GPCRdb(A)
GPCRdb(A)
NTS1 receptor
TM1
1x55 1.55x55 F86
1x58 1.58x58 A89
TM2
2x41 2.41x41 Y103
2x64 2.65x64 F127
TM3
3x29 3.29x29 Y145
TM4
4x39 4.39x39 R182
ECL2
45x51 45.51x51 T225
TM6
6x58 6.58x58 F326
TM7
7x30 7.31x30 Y342
7x34 7.35x34 Y346