Structure information

MC4 receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

8WKY

SPECIES

Homo sapiens

RESOLUTION

2.900

PREFERRED CHAIN

A

REFERENCE

10.1021/ACS.JMEDCHEM.3C01822

PUBLICATION DATE

Aug. 7, 2024

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Ligand Interaction Browser

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Ligand Amino Acid Generic Number Segment Interaction Type
Ligand Amino Acid Generic Number Segment Interaction Type
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide E100 2.60x60 TM2 polar (charge-assisted hydrogen bond)
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide I104 2.64x64 TM2 Van der Waals
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide I104 2.64x64 TM2 hydrophobic
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide D122 3.25x25 TM3 polar (charge-assisted hydrogen bond)
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide N123 3.26x26 TM3 polar (hydrogen bond)
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide D126 3.29x29 TM3 polar (charge-assisted hydrogen bond)
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide I129 3.32x32 TM3 Van der Waals
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide I129 3.32x32 TM3 hydrophobic
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide C130 3.33x33 TM3 hydrophobic
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide C130 3.33x33 TM3 Van der Waals
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide L133 3.36x36 TM3 Van der Waals
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide I185 4.61x61 TM4 Van der Waals
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide I185 4.61x61 TM4 polar (hydrogen bond with backbone)
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide S188 4.64x64 TM4 polar (hydrogen bond with backbone)
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide S188 4.64x64 TM4 polar (hydrogen bond)
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide I194 5.40x40 TM5 Van der Waals
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide I194 5.40x40 TM5 hydrophobic
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide L197 5.43x43 TM5 hydrophobic
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide L197 5.43x43 TM5 Van der Waals
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide F261 6.51x51 TM6 hydrophobic
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide F261 6.51x51 TM6 Van der Waals
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide H264 6.54x54 TM6 Van der Waals
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide H264 6.54x54 TM6 polar (hydrogen bond)
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide L265 6.55x55 TM6 Van der Waals
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide L265 6.55x55 TM6 hydrophobic
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide Y268 6.58x58 TM6 aromatic (face-to-edge)
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide Y268 6.58x58 TM6 Van der Waals
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide F284 7.35x34 TM7 hydrophobic
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide F284 7.35x34 TM7 Van der Waals
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide L288 7.39x38 TM7 Van der Waals
N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide L288 7.39x38 TM7 hydrophobic

Ligands

N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide

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Residue Diagrams

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
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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
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Residue Table


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