PDB
Resolution
2.6 Å
Released
Feb. 10, 2021
Receptor
Class
A
Species
Rattus norvegicus
Ligand
NTS8–13
Function
Agonist

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Ligand Amino Acid Generic Number Segment Interaction Type
NTS8–13 L55 N-term polar (hydrogen bond with backbone)
NTS8–13 L55 N-term polar (hydrogen bond)
NTS8–13 F128 2.65x64 TM2 hydrophobic
NTS8–13 F128 2.65x64 TM2 Van der Waals
NTS8–13 H132 ECL1 polar (hydrogen bond)
NTS8–13 H132 ECL1 polar (hydrogen bond with backbone)
NTS8–13 H133 ECL1 polar (hydrogen bond)
NTS8–13 H133 ECL1 polar (hydrogen bond with backbone)
NTS8–13 Y146 3.29x29 TM3 polar (hydrogen bond)
NTS8–13 Y146 3.29x29 TM3 polar (hydrogen bond)
NTS8–13 M208 4.64x65 TM4 Van der Waals
NTS8–13 L213 ECL2 Van der Waals
NTS8–13 V224 ECL2 hydrophobic
NTS8–13 V224 ECL2 Van der Waals
NTS8–13 C225 45.50x50 ECL2 Van der Waals
NTS8–13 T226 45.51x51 ECL2 polar (hydrogen bond)
NTS8–13 T226 45.51x51 ECL2 polar (hydrogen bond)
NTS8–13 P227 45.52x52 ECL2 polar (hydrogen bond)
NTS8–13 T231 5.32x33 TM5 Van der Waals
NTS8–13 L234 5.35x36 TM5 Van der Waals
NTS8–13 I238 5.39x40 TM5 Van der Waals
NTS8–13 R327 6.54x54 TM6 polar (charge-assisted hydrogen bond)
NTS8–13 R328 6.55x55 TM6 polar (charge-assisted hydrogen bond)
NTS8–13 F331 6.58x58 TM6 polar (hydrogen bond with backbone)
NTS8–13 F331 6.58x58 TM6 polar (charge-assisted hydrogen bond)
NTS8–13 F331 6.58x58 TM6 polar (hydrogen bond)
NTS8–13 V332 6.59x59 TM6 Van der Waals
NTS8–13 S335 ECL3 polar (hydrogen bond with backbone)
NTS8–13 S335 ECL3 Van der Waals
NTS8–13 D336 ECL3 Van der Waals
NTS8–13 W339 ECL3 polar (hydrogen bond)
NTS8–13 F344 7.28x27 TM7 polar (hydrogen bond)
NTS8–13 Y347 7.31x30 TM7 polar (hydrogen bond)
NTS8–13 Y347 7.31x30 TM7 polar (hydrogen bond)
NTS8–13 H348 7.32x31 TM7 polar (hydrogen bond)
NTS8–13 Y351 7.35x34 TM7 polar (hydrogen bond)

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

GPCRdb(A)
GPCRdb(A)
NTS1 receptor
TM2
2x64 2.65x64 F128
TM3
3x29 3.29x29 Y146
TM4
4x65 4.64x65 M208
ECL2
45x50 45.50x50 C225
45x51 45.51x51 T226
45x52 45.52x52 P227
TM5
5x33 5.32x33 T231
5x36 5.35x36 V234
5x40 5.39x40 I238
TM6
6x54 6.54x54 R327
6x55 6.55x55 R328
6x58 6.58x58 F331
6x59 6.59x59 C332
TM7
7x27 7.28x27 F344
7x30 7.31x30 Y347
7x31 7.32x31 H348
7x34 7.35x34 Y351