PDB
8WKY
Resolution
2.9 Å
Released
Aug. 7, 2024
Receptor
MC4
Class
A
Species
Homo sapiens
Ligand
PG-934
Function
Antagonist
Reference
10.1021/acs.jmedchem.3c01822

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Ligand Amino Acid Generic Number Segment Interaction Type
PG-934 E100 2.60x60 TM2 polar (charge-assisted hydrogen bond)
PG-934 I104 2.64x64 TM2 Van der Waals
PG-934 I104 2.64x64 TM2 hydrophobic
PG-934 D122 3.25x25 TM3 polar (charge-assisted hydrogen bond)
PG-934 N123 3.26x26 TM3 polar (hydrogen bond)
PG-934 D126 3.29x29 TM3 polar (charge-assisted hydrogen bond)
PG-934 I129 3.32x32 TM3 Van der Waals
PG-934 I129 3.32x32 TM3 hydrophobic
PG-934 C130 3.33x33 TM3 hydrophobic
PG-934 C130 3.33x33 TM3 Van der Waals
PG-934 L133 3.36x36 TM3 Van der Waals
PG-934 I185 4.61x61 TM4 Van der Waals
PG-934 I185 4.61x61 TM4 polar (hydrogen bond with backbone)
PG-934 S188 4.64x64 TM4 polar (hydrogen bond with backbone)
PG-934 S188 4.64x64 TM4 polar (hydrogen bond)
PG-934 I194 5.40x40 TM5 Van der Waals
PG-934 I194 5.40x40 TM5 hydrophobic
PG-934 L197 5.43x43 TM5 hydrophobic
PG-934 L197 5.43x43 TM5 Van der Waals
PG-934 F261 6.51x51 TM6 hydrophobic
PG-934 F261 6.51x51 TM6 Van der Waals
PG-934 H264 6.54x54 TM6 Van der Waals
PG-934 H264 6.54x54 TM6 polar (hydrogen bond)
PG-934 L265 6.55x55 TM6 Van der Waals
PG-934 L265 6.55x55 TM6 hydrophobic
PG-934 Y268 6.58x58 TM6 aromatic (face-to-edge)
PG-934 Y268 6.58x58 TM6 Van der Waals
PG-934 F284 7.35x34 TM7 hydrophobic
PG-934 F284 7.35x34 TM7 Van der Waals
PG-934 L288 7.39x38 TM7 Van der Waals
PG-934 L288 7.39x38 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
MC4 receptor
TM2
2x60 2.60x60 E100
2x64 2.64x64 I104
TM3
3x25 3.25x25 D122
3x26 3.26x26 N123
3x29 3.29x29 D126
3x32 3.32x32 I129
3x33 3.33x33 C130
3x36 3.36x36 L133
TM4
4x61 4.61x61 I185
4x64 4.64x64 S188
TM5
5x40 5.40x40 I194
5x43 5.43x43 L197
TM6
6x51 6.51x51 F261
6x54 6.54x54 H264
6x55 6.55x55 L265
6x58 6.58x58 Y268
TM7
7x34 7.35x34 F284
7x38 7.39x38 L288