PDB
8WKZ
Resolution
3.3 Å
Released
Aug. 7, 2024
Receptor
MC4
Class
A
Species
Homo sapiens
Ligand
Function
SBL-MC-31
Antagonist
Reference
10.1021/acs.jmedchem.3c01822

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Ligand Amino Acid Generic Number Segment Interaction Type
SBL-MC-31 Q43 N-term Van der Waals
SBL-MC-31 L97 2.57x57 TM2 Van der Waals
SBL-MC-31 E100 2.60x60 TM2 polar (hydrogen bond)
SBL-MC-31 E100 2.60x60 TM2 hydrophobic
SBL-MC-31 V103 2.63x63 TM2 hydrophobic
SBL-MC-31 I104 2.64x64 TM2 hydrophobic
SBL-MC-31 L107 2.67x67 TM2 hydrophobic
SBL-MC-31 T118 3.21x21 TM3 Van der Waals
SBL-MC-31 I121 3.24x24 TM3 Van der Waals
SBL-MC-31 D122 3.25x25 TM3 polar (hydrogen bond)
SBL-MC-31 D122 3.25x25 TM3 polar (charge-charge)
SBL-MC-31 D122 3.25x25 TM3 hydrophobic
SBL-MC-31 N123 3.26x26 TM3 Van der Waals
SBL-MC-31 D126 3.29x29 TM3 polar (hydrogen bond)
SBL-MC-31 D126 3.29x29 TM3 hydrophobic
SBL-MC-31 D126 3.29x29 TM3 polar (charge-charge)
SBL-MC-31 I129 3.32x32 TM3 hydrophobic
SBL-MC-31 C130 3.33x33 TM3 hydrophobic
SBL-MC-31 L133 3.36x36 TM3 hydrophobic
SBL-MC-31 I185 4.61x61 TM4 Van der Waals
SBL-MC-31 S188 4.64x64 TM4 polar (hydrogen bond with backbone)
SBL-MC-31 S188 4.64x64 TM4 polar (hydrogen bond)
SBL-MC-31 V193 5.39x39 TM5 Van der Waals
SBL-MC-31 I194 5.40x40 TM5 Van der Waals
SBL-MC-31 L197 5.43x43 TM5 hydrophobic
SBL-MC-31 W258 6.48x48 TM6 hydrophobic
SBL-MC-31 F261 6.51x51 TM6 hydrophobic
SBL-MC-31 H264 6.54x54 TM6 polar (hydrogen bond)
SBL-MC-31 L265 6.55x55 TM6 hydrophobic
SBL-MC-31 Y268 6.58x58 TM6 aromatic (edge-to-face)
SBL-MC-31 Y268 6.58x58 TM6 hydrophobic
SBL-MC-31 F284 7.35x34 TM7 Van der Waals
SBL-MC-31 N285 7.36x35 TM7 polar (hydrogen bond)
SBL-MC-31 L288 7.39x38 TM7 hydrophobic

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Snake plot — Download: PNG | SVG
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
2x57 2.57x57 N97
2x60 2.60x60 E100
2x63 2.63x63 V103
2x64 2.64x64 I104
2x67 2.67x67 L107
TM3
3x21 3.21x21 T118
3x24 3.24x24 I121
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
5x39 5.39x39 V193
5x40 5.40x40 I194
5x43 5.43x43 L197
TM6
6x48 6.48x48 W258
6x51 6.51x51 F261
6x54 6.54x54 H264
6x55 6.55x55 L265
6x58 6.58x58 Y268
TM7
7x34 7.35x34 F284
7x35 7.36x35 N285
7x38 7.39x38 L288