PDB
8FN0
Resolution
2.9 Å
Released
March 29, 2023
Receptor
NTS1
Class
A
Species
Rattus norvegicus
Ligands
Function
NTS8–13
Agonist
SBI-553
Ago-PAM
Reference
10.1021/ACS.BIOCHEM.3C00029
NTS8–13 SBI-553

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Ligand Amino Acid Generic Number Segment Interaction Type
NTS8–13 D54 N-term polar (hydrogen bond with backbone)
NTS8–13 D54 N-term polar (charge-charge)
NTS8–13 L55 N-term Van der Waals
SBI-553 V102 2.39x39 TM2 Van der Waals
SBI-553 L106 2.43x43 TM2 Van der Waals
NTS8–13 F128 2.65x64 TM2 hydrophobic
NTS8–13 H132 ECL1 polar (hydrogen bond with backbone)
NTS8–13 H133 ECL1 Van der Waals
NTS8–13 Y146 3.29x29 TM3 polar (hydrogen bond)
SBI-553 V160 3.43x43 TM3 hydrophobic
SBI-553 L163 3.46x46 TM3 hydrophobic
SBI-553 S164 3.47x47 TM3 Van der Waals
SBI-553 R167 3.50x50 TM3 polar (hydrogen bond)
SBI-553 I171 3.54x54 TM3 hydrophobic
NTS8–13 M208 4.64x65 TM4 hydrophobic
NTS8–13 V224 ECL2 hydrophobic
NTS8–13 C225 45.50x50 ECL2 Van der Waals
NTS8–13 T226 45.51x51 ECL2 polar (hydrogen bond)
NTS8–13 P227 45.52x52 ECL2 hydrophobic
NTS8–13 T231 5.32x33 TM5 Van der Waals
SBI-553 N257 5.58x58 TM5 Van der Waals
SBI-553 I260 5.61x61 TM5 Van der Waals
SBI-553 L264 5.65x65 TM5 hydrophobic
SBI-553 V309 6.36x36 TM6 hydrophobic
SBI-553 L310 6.37x37 TM6 hydrophobic
SBI-553 V313 6.40x40 TM6 hydrophobic
NTS8–13 R327 6.54x54 TM6 polar (hydrogen bond)
NTS8–13 R327 6.54x54 TM6 polar (charge-charge)
NTS8–13 R328 6.55x55 TM6 polar (charge-charge)
NTS8–13 F331 6.58x58 TM6 hydrophobic
NTS8–13 F331 6.58x58 TM6 aromatic (pi-cation)
NTS8–13 C332 6.59x59 TM6 Van der Waals
NTS8–13 W339 ECL3 hydrophobic
NTS8–13 Y347 7.31x30 TM7 polar (hydrogen bond)
NTS8–13 Y347 7.31x30 TM7 hydrophobic
NTS8–13 Y351 7.35x34 TM7 Van der Waals
SBI-553 N365 7.49x49 TM7 Van der Waals
SBI-553 Y369 7.53x53 TM7 hydrophobic
SBI-553 V372 7.56x56 TM7 Van der Waals

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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
2x39 2.39x39 V102
2x43 2.43x43 L106
2x64 2.65x64 F128
TM3
3x29 3.29x29 Y146
3x43 3.43x43 V160
3x46 3.46x46 L163
3x47 3.47x47 S164
3x50 3.50x50 R167
3x54 3.54x54 I171
TM4
4x65 4.64x65 M208
ECL2
45x50 45.50x50 C225
45x51 45.51x51 T226
45x52 45.52x52 P227
TM5
5x33 5.32x33 T231
5x58 5.58x58 N257
5x61 5.61x61 I260
5x65 5.65x65 L264
TM6
6x36 6.36x36 V309
6x37 6.37x37 L310
6x40 6.40x40 V313
6x54 6.54x54 R327
6x55 6.55x55 R328
6x58 6.58x58 F331
6x59 6.59x59 C332
TM7
7x30 7.31x30 Y347
7x34 7.35x34 Y351
7x49 7.49x49 N365
7x53 7.53x53 Y369
7x56 7.56x56 V372