PDB
4XES
Resolution
2.6 Å
Released
July 29, 2015
Receptor
NTS1
Class
A
Species
Rattus norvegicus
Ligand
NTS8–13
Function
Agonist
Reference
10.1038/NCOMMS8895

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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 Van der Waals
NTS8–13 L55 N-term Van der Waals
NTS8–13 L55 N-term polar (hydrogen bond with backbone)
NTS8–13 D56 N-term polar (hydrogen bond with backbone)
NTS8–13 D56 N-term Van der Waals
NTS8–13 F128 2.65x64 TM2 hydrophobic
NTS8–13 F128 2.65x64 TM2 Van der Waals
NTS8–13 H132 ECL1 polar (hydrogen bond with backbone)
NTS8–13 H132 ECL1 Van der Waals
NTS8–13 H133 ECL1 Van der Waals
NTS8–13 Y146 3.29x29 TM3 Van der Waals
NTS8–13 Y146 3.29x29 TM3 polar (hydrogen bond)
NTS8–13 V224 ECL2 Van der Waals
NTS8–13 V224 ECL2 hydrophobic
NTS8–13 T226 45.51x51 ECL2 polar (hydrogen bond)
NTS8–13 T226 45.51x51 ECL2 Van der Waals
NTS8–13 P227 45.52x52 ECL2 hydrophobic
NTS8–13 R327 6.54x54 TM6 polar (charge-assisted hydrogen bond)
NTS8–13 R328 6.55x55 TM6 Van der Waals
NTS8–13 F331 6.58x58 TM6 polar (hydrogen bond with backbone)
NTS8–13 F331 6.58x58 TM6 Van der Waals
NTS8–13 C332 6.59x59 TM6 Van der Waals
NTS8–13 I334 6.61x61 TM6 Van der Waals
NTS8–13 I334 6.61x61 TM6 polar (hydrogen bond with backbone)
NTS8–13 D336 ECL3 polar (charge-assisted hydrogen bond)
NTS8–13 W339 ECL3 polar (hydrogen bond)
NTS8–13 T341 7.25x24 TM7 Van der Waals
NTS8–13 F344 7.28x27 TM7 hydrophobic
NTS8–13 F344 7.28x27 TM7 Van der Waals
NTS8–13 D345 7.29x28 TM7 polar (charge-assisted hydrogen bond)
NTS8–13 Y347 7.31x30 TM7 polar (hydrogen bond)
NTS8–13 Y347 7.31x30 TM7 Van der Waals
NTS8–13 H348 7.32x31 TM7 Van der Waals
NTS8–13 Y351 7.35x34 TM7 hydrophobic
NTS8–13 Y351 7.35x34 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
2x64 2.65x64 F128
TM3
3x29 3.29x29 Y146
ECL2
45x51 45.51x51 T226
45x52 45.52x52 P227
TM6
6x54 6.54x54 R327
6x55 6.55x55 R328
6x58 6.58x58 F331
6x59 6.59x59 C332
6x61 6.61x61 I334
TM7
7x24 7.25x24 T341
7x27 7.28x27 F344
7x28 7.29x28 D345
7x30 7.31x30 Y347
7x31 7.32x31 H348
7x34 7.35x34 Y351