PDB
5T04
Resolution
3.3 Å
Released
Dec. 21, 2016
Receptor
NTS1
Class
A
Species
Rattus norvegicus
Ligand
NTS8–13
Function
Agonist
Reference
10.1038/SREP38564

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Ligand Amino Acid Generic Number Segment Interaction Type
NTS8–13 D54 N-term Van der Waals
NTS8–13 D54 N-term polar (hydrogen bond with backbone)
NTS8–13 L55 N-term Van der Waals
NTS8–13 L55 N-term polar (hydrogen bond with backbone)
NTS8–13 F128 2.65x64 TM2 hydrophobic
NTS8–13 F128 2.65x64 TM2 Van der Waals
NTS8–13 H132 ECL1 Van der Waals
NTS8–13 H133 ECL1 Van der Waals
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 R213 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 Van der Waals
NTS8–13 T226 45.51x51 ECL2 polar (hydrogen bond)
NTS8–13 T231 5.32x33 TM5 polar (hydrogen bond)
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 hydrophobic
NTS8–13 F331 6.58x58 TM6 Van der Waals
NTS8–13 I334 6.61x61 TM6 Van der Waals
NTS8–13 D336 ECL3 polar (charge-assisted hydrogen bond)
NTS8–13 W339 ECL3 hydrophobic
NTS8–13 W339 ECL3 Van der Waals
NTS8–13 F344 7.28x27 TM7 hydrophobic
NTS8–13 F344 7.28x27 TM7 Van der Waals
NTS8–13 Y347 7.31x30 TM7 polar (hydrogen bond)
NTS8–13 Y347 7.31x30 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
TM4
4x65 4.64x65 M208
ECL2
45x50 45.50x50 C225
45x51 45.51x51 T226
TM5
5x33 5.32x33 T231
TM6
6x54 6.54x54 R327
6x55 6.55x55 R328
6x58 6.58x58 F331
6x61 6.61x61 I334
TM7
7x27 7.28x27 F344
7x30 7.31x30 Y347