PDB
6ZA8
Resolution
2.7 Å
Released
Feb. 10, 2021
Receptor
NTS1
Class
A
Species
Rattus norvegicus
Ligand
CHEMBL463227
Function
Agonist (partial)
Reference
10.1126/sciadv.abe5504

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL463227 N127 2.64x63 TM2 polar (hydrogen bond with backbone)
CHEMBL463227 N127 2.64x63 TM2 Van der Waals
CHEMBL463227 F128 2.65x64 TM2 polar (hydrogen bond with backbone)
CHEMBL463227 F128 2.65x64 TM2 aromatic (edge-to-face)
CHEMBL463227 F128 2.65x64 TM2 polar (hydrogen bond)
CHEMBL463227 I129 2.66x65 TM2 Van der Waals
CHEMBL463227 H132 ECL1 polar (hydrogen bond)
CHEMBL463227 H132 ECL1 polar (hydrogen bond with backbone)
CHEMBL463227 H132 ECL1 aromatic (edge-to-face)
CHEMBL463227 Y146 3.29x29 TM3 polar (hydrogen bond)
CHEMBL463227 Y146 3.29x29 TM3 polar (hydrogen bond)
CHEMBL463227 M204 4.60x61 TM4 Van der Waals
CHEMBL463227 M208 4.64x65 TM4 polar (hydrogen bond)
CHEMBL463227 V224 ECL2 hydrophobic
CHEMBL463227 V224 ECL2 Van der Waals
CHEMBL463227 T226 45.51x51 ECL2 polar (hydrogen bond)
CHEMBL463227 L234 5.35x36 TM5 Van der Waals
CHEMBL463227 I238 5.39x40 TM5 hydrophobic
CHEMBL463227 I238 5.39x40 TM5 Van der Waals
CHEMBL463227 R327 6.54x54 TM6 polar (charge-assisted hydrogen bond)
CHEMBL463227 R328 6.55x55 TM6 polar (hydrogen bond with backbone)
CHEMBL463227 R328 6.55x55 TM6 polar (charge-assisted hydrogen bond)
CHEMBL463227 F331 6.58x58 TM6 polar (hydrogen bond)
CHEMBL463227 F331 6.58x58 TM6 aromatic (face-to-face)
CHEMBL463227 V332 6.59x59 TM6 Van der Waals
CHEMBL463227 W339 ECL3 Van der Waals
CHEMBL463227 W339 ECL3 hydrophobic
CHEMBL463227 F344 7.28x27 TM7 Van der Waals
CHEMBL463227 Y347 7.31x30 TM7 aromatic (edge-to-face)
CHEMBL463227 Y347 7.31x30 TM7 polar (hydrogen bond)
CHEMBL463227 Y347 7.31x30 TM7 polar (hydrogen bond)
CHEMBL463227 H348 7.32x31 TM7 polar (hydrogen bond)
CHEMBL463227 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
2x63 2.64x63 N127
2x64 2.65x64 F128
2x65 2.66x65 I129
TM3
3x29 3.29x29 Y146
TM4
4x61 4.60x61 M204
4x65 4.64x65 M208
ECL2
45x51 45.51x51 T226
TM5
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