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

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Ligand Amino Acid Generic Number Segment Interaction Type
Na+ L108 2.46x46 TM2 Van der Waals
Na+ L108 2.46x46 TM2 polar (hydrogen bond with backbone)
Na+ S111 2.49x49 TM2 polar (charge-assisted hydrogen bond)
Na+ D112 2.50x50 TM2 polar (charge-charge)
Na+ T155 3.39x39 TM3 polar (charge-assisted hydrogen bond)
meclinertant I237 5.39x40 TM5 hydrophobic
meclinertant R322 6.54x54 TM6 polar (charge-assisted hydrogen bond)
meclinertant M325 6.57x57 TM6 hydrophobic
meclinertant M325 6.57x57 TM6 Van der Waals
meclinertant F326 6.58x58 TM6 hydrophobic
meclinertant F326 6.58x58 TM6 Van der Waals
meclinertant I329 6.61x61 TM6 Van der Waals
meclinertant W334 ECL3 hydrophobic
meclinertant W334 ECL3 Van der Waals
meclinertant Y339 7.28x27 TM7 Van der Waals
meclinertant Y339 7.28x27 TM7 hydrophobic
meclinertant Y342 7.31x30 TM7 Van der Waals
meclinertant Y342 7.31x30 TM7 aromatic (face-to-edge)
meclinertant H343 7.32x31 TM7 Van der Waals
meclinertant Y346 7.35x34 TM7 Van der Waals
meclinertant Y346 7.35x34 TM7 aromatic (edge-to-face)

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
2x46 2.46x46 L108
2x49 2.49x49 S111
2x50 2.50x50 D112
TM3
3x39 3.39x39 T155
TM5
5x40 5.39x40 I237
TM6
6x54 6.54x54 R322
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
7x34 7.35x34 Y346