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

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Ligand Amino Acid Generic Number Segment Interaction Type
2-iodo-melatonin M107 3.32x32 TM3 hydrophobic
2-iodo-melatonin N162 4.60x61 TM4 Van der Waals
2-iodo-melatonin N162 4.60x61 TM4 polar (hydrogen bond)
2-iodo-melatonin L168 ECL2 Van der Waals
2-iodo-melatonin T178 45.51x51 ECL2 Van der Waals
2-iodo-melatonin F179 45.52x52 ECL2 Van der Waals
2-iodo-melatonin F179 45.52x52 ECL2 hydrophobic
2-iodo-melatonin Q181 ECL2 polar (hydrogen bond)
2-iodo-melatonin Q181 ECL2 Van der Waals
2-iodo-melatonin L254 6.51x51 TM6 Van der Waals
2-iodo-melatonin L254 6.51x51 TM6 hydrophobic
2-iodo-melatonin N255 6.52x52 TM6 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
3x32 3.32x32 M107
TM4
4x61 4.60x61 N162
ECL2
45x51 45.51x51 T178
45x52 45.52x52 F179
TM6
6x51 6.51x51 L254
6x52 6.52x52 N255