PDB
7UL2
Resolution
2.4 Å
Released
June 29, 2022
Receptor
NTS1
Class
A
Species
Homo sapiens
Ligands
Function
meclinertant
Inverse agonist
Na+
NAM
Reference
10.1038/S41594-022-00859-8
meclinertant Na+

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Ligand Amino Acid Generic Number Segment Interaction Type
Na+ S111 2.49x49 TM2 Van der Waals
Na+ D112 2.50x50 TM2 metal coordination
Na+ D112 2.50x50 TM2 polar (charge-charge)
Na+ T155 3.39x39 TM3 metal coordination
meclinertant M207 4.64x65 TM4 Van der Waals
meclinertant V233 5.35x36 TM5 Van der Waals
meclinertant I237 5.39x40 TM5 hydrophobic
meclinertant R322 6.54x54 TM6 polar (hydrogen bond)
meclinertant R322 6.54x54 TM6 polar (charge-charge)
meclinertant R323 6.55x55 TM6 polar (charge-charge)
meclinertant M325 6.57x57 TM6 hydrophobic
meclinertant F326 6.58x58 TM6 hydrophobic
meclinertant F326 6.58x58 TM6 aromatic (edge-to-face)
meclinertant I329 6.61x61 TM6 Van der Waals
meclinertant W334 ECL3 aromatic (edge-to-face)
meclinertant W334 ECL3 hydrophobic
meclinertant Y339 7.28x27 TM7 hydrophobic
meclinertant Y342 7.31x30 TM7 aromatic (edge-to-face)
meclinertant Y342 7.31x30 TM7 hydrophobic
meclinertant H343 7.32x31 TM7 hydrophobic
meclinertant F345 7.34x33 TM7 Van der Waals
meclinertant Y346 7.35x34 TM7 aromatic (edge-to-face)
meclinertant Y346 7.35x34 TM7 hydrophobic

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Na+

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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
TM2
2x49 2.49x49 S111
2x50 2.50x50 D112
TM3
3x39 3.39x39 T155
TM4
4x65 4.64x65 M207
TM5
5x36 5.35x36 V233
5x40 5.39x40 I237
TM6
6x54 6.54x54 R322
6x55 6.55x55 R323
6x57 6.57x57 M325
6x58 6.58x58 F326
6x61 6.61x61 I329
TM7
7x27 7.28x27 Y339
7x30 7.31x30 Y342
7x31 7.32x31 H343
7x33 7.34x33 F345
7x34 7.35x34 Y346