PDB
7F4D
Resolution
3.0 Å
Released
Sept. 8, 2021
Receptor
MC1
Class
A
Species
Homo sapiens
Ligands
Alpha-MSH
Calcium
Function
Agonist
PAM
Reference
10.1038/S41422-021-00557-Y
Alpha-MSH Calcium

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Ligand Amino Acid Generic Number Segment Interaction Type
Alpha-MSH F45 1.39x39 TM1 hydrophobic
Alpha-MSH E94 2.60x60 TM2 polar (charge-assisted hydrogen bond)
Calcium E94 2.60x60 TM2 polar (charge-charge)
Alpha-MSH T95 2.61x61 TM2 polar (hydrogen bond)
Alpha-MSH V97 2.63x63 TM2 hydrophobic
Alpha-MSH V97 2.63x63 TM2 Van der Waals
Alpha-MSH I98 2.64x64 TM2 Van der Waals
Alpha-MSH I98 2.64x64 TM2 hydrophobic
Alpha-MSH A110 3.18x18 TM3 Van der Waals
Alpha-MSH L113 3.21x21 TM3 Van der Waals
Alpha-MSH Q114 3.22x22 TM3 polar (hydrogen bond)
Alpha-MSH Q114 3.22x22 TM3 polar (hydrogen bond)
Calcium D117 3.25x25 TM3 polar (charge-charge)
Alpha-MSH D117 3.25x25 TM3 polar (charge-assisted hydrogen bond)
Alpha-MSH N118 3.26x26 TM3 polar (hydrogen bond)
Alpha-MSH D121 3.29x29 TM3 polar (charge-assisted hydrogen bond)
Calcium D121 3.29x29 TM3 polar (charge-charge)
Alpha-MSH T124 3.32x32 TM3 Van der Waals
Alpha-MSH C125 3.33x33 TM3 hydrophobic
Alpha-MSH C125 3.33x33 TM3 Van der Waals
Alpha-MSH M128 3.36x36 TM3 hydrophobic
Alpha-MSH M128 3.36x36 TM3 Van der Waals
Alpha-MSH F179 4.60x60 TM4 Van der Waals
Alpha-MSH I180 4.61x61 TM4 hydrophobic
Alpha-MSH I180 4.61x61 TM4 Van der Waals
Alpha-MSH Y183 ECL2 Van der Waals
Alpha-MSH Y183 ECL2 polar (hydrogen bond with backbone)
Alpha-MSH D184 ECL2 Van der Waals
Alpha-MSH L189 5.40x40 TM5 Van der Waals
Alpha-MSH L189 5.40x40 TM5 hydrophobic
Alpha-MSH L192 5.43x43 TM5 Van der Waals
Alpha-MSH F257 6.51x51 TM6 hydrophobic
Alpha-MSH F257 6.51x51 TM6 Van der Waals
Alpha-MSH H260 6.54x54 TM6 Van der Waals
Alpha-MSH H260 6.54x54 TM6 polar (hydrogen bond)
Alpha-MSH L261 6.55x55 TM6 hydrophobic
Alpha-MSH L261 6.55x55 TM6 Van der Waals
Alpha-MSH I264 6.58x58 TM6 hydrophobic
Alpha-MSH I264 6.58x58 TM6 Van der Waals
Alpha-MSH P268 ECL3 hydrophobic
Alpha-MSH P268 ECL3 Van der Waals
Alpha-MSH F277 ECL3 Van der Waals
Alpha-MSH F277 ECL3 hydrophobic
Alpha-MSH F280 7.35x34 TM7 hydrophobic
Alpha-MSH F280 7.35x34 TM7 Van der Waals
Alpha-MSH L284 7.39x38 TM7 Van der Waals
Alpha-MSH L284 7.39x38 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
MC1 receptor
TM1
1x39 1.39x39 F45
TM2
2x60 2.60x60 E94
2x61 2.61x61 T95
2x63 2.63x63 V97
2x64 2.64x64 I98
TM3
3x18 3.18x18 A110
3x21 3.21x21 L113
3x22 3.22x22 Q114
3x25 3.25x25 D117
3x26 3.26x26 N118
3x29 3.29x29 D121
3x32 3.32x32 T124
3x33 3.33x33 C125
3x36 3.36x36 M128
TM4
4x60 4.60x60 F179
4x61 4.61x61 I180
TM5
5x40 5.40x40 L189
5x43 5.43x43 L192
TM6
6x51 6.51x51 F257
6x54 6.54x54 H260
6x55 6.55x55 L261
6x58 6.58x58 I264
TM7
7x34 7.35x34 F280
7x38 7.39x38 L284