PDB
8KIG
Resolution
3.1 Å
Released
Feb. 26, 2025
Receptor
MC3
Class
A
Species
Homo sapiens
Ligands
Calcium
SHU9119
Function
Agonist
Antagonist
Reference
—
Calcium SHU9119

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Ligand Amino Acid Generic Number Segment Interaction Type
Calcium E94 2.60x60 TM2 polar (charge-charge)
SHU9119 E94 2.60x60 TM2 polar (charge-assisted hydrogen bond)
SHU9119 T95 2.61x61 TM2 polar (hydrogen bond)
SHU9119 M97 2.63x63 TM2 Van der Waals
SHU9119 I98 2.64x64 TM2 Van der Waals
SHU9119 I98 2.64x64 TM2 hydrophobic
SHU9119 I113 3.21x21 TM3 Van der Waals
SHU9119 I113 3.21x21 TM3 hydrophobic
SHU9119 D117 3.25x25 TM3 Van der Waals
Calcium D117 3.25x25 TM3 polar (charge-charge)
SHU9119 N118 3.26x26 TM3 polar (hydrogen bond)
SHU9119 D121 3.29x29 TM3 polar (charge-assisted hydrogen bond)
Calcium D121 3.29x29 TM3 polar (charge-charge)
SHU9119 I124 3.32x32 TM3 Van der Waals
SHU9119 I124 3.32x32 TM3 hydrophobic
SHU9119 C125 3.33x33 TM3 Van der Waals
SHU9119 I180 4.61x61 TM4 hydrophobic
SHU9119 I180 4.61x61 TM4 Van der Waals
SHU9119 S183 ECL2 polar (hydrogen bond)
SHU9119 V188 5.39x39 TM5 hydrophobic
SHU9119 I189 5.40x40 TM5 hydrophobic
SHU9119 I189 5.40x40 TM5 Van der Waals
SHU9119 L192 5.43x43 TM5 Van der Waals
SHU9119 F258 6.51x51 TM6 hydrophobic
SHU9119 F258 6.51x51 TM6 Van der Waals
SHU9119 H261 6.54x54 TM6 Van der Waals
SHU9119 F281 7.35x34 TM7 Van der Waals
SHU9119 F281 7.35x34 TM7 hydrophobic
SHU9119 L285 7.39x38 TM7 Van der Waals
SHU9119 L285 7.39x38 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
MC3 receptor
TM2
2x60 2.60x60 E94
2x61 2.61x61 T95
2x63 2.63x63 M97
2x64 2.64x64 I98
TM3
3x21 3.21x21 I113
3x25 3.25x25 D117
3x26 3.26x26 N118
3x29 3.29x29 D121
3x32 3.32x32 I124
3x33 3.33x33 C125
TM4
4x61 4.61x61 I180
TM5
5x39 5.39x39 V188
5x40 5.40x40 I189
5x43 5.43x43 L192
TM6
6x51 6.51x51 F258
6x54 6.54x54 H261
TM7
7x34 7.35x34 F281
7x38 7.39x38 L285