PDB
7W56
Resolution
2.9 Å
Released
April 20, 2022
Receptor
NMU1
Class
A
Species
Homo sapiens
Ligand
Function
Neuromedin-S
Agonist
Reference
10.1038/S41467-022-29683-W

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Ligand Amino Acid Generic Number Segment Interaction Type
Neuromedin-S L59 N-term Van der Waals
Neuromedin-S Y67 1.39x39 TM1 Van der Waals
Neuromedin-S E117 2.61x60 TM2 polar (charge-charge)
Neuromedin-S E117 2.61x60 TM2 polar (hydrogen bond)
Neuromedin-S E120 2.64x63 TM2 polar (charge-charge)
Neuromedin-S E120 2.64x63 TM2 polar (hydrogen bond)
Neuromedin-S M121 2.65x64 TM2 hydrophobic
Neuromedin-S N124 ECL1 polar (hydrogen bond)
Neuromedin-S R137 3.28x28 TM3 Van der Waals
Neuromedin-S T138 3.29x29 TM3 Van der Waals
Neuromedin-S F141 3.32x32 TM3 Van der Waals
Neuromedin-S F141 3.32x32 TM3 hydrophobic
Neuromedin-S E142 3.33x33 TM3 polar (hydrogen bond)
Neuromedin-S N196 4.60x61 TM4 polar (hydrogen bond with backbone)
Neuromedin-S T197 4.61x62 TM4 Van der Waals
Neuromedin-S H200 4.64x65 TM4 polar (hydrogen bond)
Neuromedin-S C219 45.50x50 ECL2 polar (hydrogen bond with backbone)
Neuromedin-S M220 45.51x51 ECL2 Van der Waals
Neuromedin-S Y228 5.35x35 TM5 Van der Waals
Neuromedin-S F313 6.51x51 TM6 hydrophobic
Neuromedin-S D316 6.54x54 TM6 polar (charge-charge)
Neuromedin-S R317 6.55x55 TM6 polar (hydrogen bond)
Neuromedin-S W320 6.58x58 TM6 hydrophobic
Neuromedin-S H331 7.28x27 TM7 hydrophobic
Neuromedin-S L332 7.29x28 TM7 Van der Waals
Neuromedin-S F334 7.31x30 TM7 hydrophobic
Neuromedin-S Q335 7.32x31 TM7 hydrophobic
Neuromedin-S H338 7.35x34 TM7 polar (hydrogen bond with backbone)
Neuromedin-S H338 7.35x34 TM7 aromatic (pi-cation)
Neuromedin-S V339 7.36x35 TM7 Van der Waals
Neuromedin-S G342 7.39x38 TM7 Van der Waals
Neuromedin-S Y346 7.43x42 TM7 Van der Waals

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ICL1 K A M R ICL1ECL1 Y P F L L ECL1ICL2 P L Q A R S M V ICL2ECL2 G I R Q L H V P C R G P V P D S A V C M L V R P R A ECL2ICL3 K G R G S A A A R S R Y T C R L ICL3ECL3 S Q W T ECL3N-term M T P L C L N C S V L P G D L Y P G G A R N P M A C N G S A A R G H F D P E D L N L T D E A L R L K Y L G P Q N-termC-term C C H R L R P R H S S H S L S R M T T G S T L C D V G S L G S W V H P L A G N D G P E A Q Q E T D P S C-term Q T E L F M P I C A T Y L L I F V V G A V G N G L T C L V I L R H T P T N Y Y L F S L A V S D L L V L L V G L P L E L Y E M W H N G V G G C Y F R T L L F E M V C L A S V L N V T A L S V E R Y V A V V H T R A H V R R V L G A V W G L A M L C S L P N T S L H L Y N M V V Q T T A L L F F C L P M A I M S V L Y L L I G L R L R R E R L L L M Q E A Q Q H D R G R R Q V T K M L F V L V V V F G I C W A P F H A D R V M W S V V D G L H L A F Q H V H V I S G I F F Y L G S A A N P V L Y S L M S S R F Q E G A F R E T A L C L
Helix box plot — Download: PNG | SVG G N G V A G V V F I L L Y T A C I P M F 1 F S L A V S D L L V L V L G L P L E L Y E 2 A T V N L V S A L C V M E F L L T R F Y 3 V R R V L G A V W G L A M L C S L P N 4 Y L V S M I A M P L C F F L L A T T Q V 5 F V L V V V F G I C W A P F H A D R V M 6 V P N A A S G L Y F F I G S I V H V H 7

GPCRdb(A)
GPCRdb(A)
NMU1 receptor
TM1
1x39 1.39x39 Y67
TM2
2x60 2.61x60 E117
2x63 2.64x63 E120
2x64 2.65x64 M121
TM3
3x28 3.28x28 R137
3x29 3.29x29 T138
3x32 3.32x32 F141
3x33 3.33x33 E142
TM4
4x61 4.60x61 N196
4x62 4.61x62 T197
4x65 4.64x65 H200
ECL2
45x50 45.50x50 C219
45x51 45.51x51 M220
TM5
5x35 5.35x35 Y228
TM6
6x51 6.51x51 F313
6x54 6.54x54 D316
6x55 6.55x55 R317
6x58 6.58x58 W320
TM7
7x27 7.28x27 H331
7x28 7.29x28 L332
7x30 7.31x30 F334
7x31 7.32x31 Q335
7x34 7.35x34 H338
7x35 7.36x35 V339
7x38 7.39x38 G342
7x42 7.43x42 Y346