PDB
6ME4
Resolution
3.2 Å
Released
April 24, 2019
Receptor
MT1
Class
A
Species
Homo sapiens
Ligand
Function
2-iodo-melatonin
Agonist
Reference
10.1038/S41586-019-1141-3

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Ligand Amino Acid Generic Number Segment Interaction Type
2-iodo-melatonin A104 3.29x29 TM3 Van der Waals
2-iodo-melatonin M107 3.32x32 TM3 Van der Waals
2-iodo-melatonin G108 3.33x33 TM3 Van der Waals
2-iodo-melatonin V111 3.36x36 TM3 hydrophobic
2-iodo-melatonin I112 3.37x37 TM3 Van der Waals
2-iodo-melatonin V159 4.57x57 TM4 hydrophobic
2-iodo-melatonin N162 4.60x61 TM4 Van der Waals
2-iodo-melatonin L168 ECL2 hydrophobic
2-iodo-melatonin T178 45.51x51 ECL2 hydrophobic
2-iodo-melatonin F179 45.52x52 ECL2 hydrophobic
2-iodo-melatonin Q181 ECL2 polar (hydrogen bond)
2-iodo-melatonin V191 5.42x43 TM5 Van der Waals
2-iodo-melatonin V192 5.43x44 TM5 Van der Waals
2-iodo-melatonin L254 6.51x51 TM6 hydrophobic
2-iodo-melatonin N255 6.52x52 TM6 Van der Waals
2-iodo-melatonin Y281 7.39x38 TM7 hydrophobic
2-iodo-melatonin Y285 7.43x42 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
MT1 receptor
TM3
3x29 3.29x29 G104
3x32 3.32x32 M107
3x33 3.33x33 G108
3x36 3.36x36 V111
3x37 3.37x37 I112
TM4
4x57 4.57x57 V159
4x61 4.60x61 N162
ECL2
45x51 45.51x51 T178
45x52 45.52x52 F179
TM5
5x43 5.42x43 V191
5x44 5.43x44 V192
TM6
6x51 6.51x51 L254
6x52 6.52x52 N255
TM7
7x38 7.39x38 Y281
7x42 7.43x42 Y285