Structure information

MC4 receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

8WKZ

SPECIES

Homo sapiens

RESOLUTION

3.300

PREFERRED CHAIN

A

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-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper Q43 N-term polar (hydrogen bond)
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper E100 2.60x60 TM2 polar (charge-assisted hydrogen bond)
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper I104 2.64x64 TM2 hydrophobic
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper I104 2.64x64 TM2 Van der Waals
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper L107 2.67x67 TM2 hydrophobic
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper T118 3.21x21 TM3 Van der Waals
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper D122 3.25x25 TM3 polar (charge-assisted hydrogen bond)
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper N123 3.26x26 TM3 Van der Waals
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper D126 3.29x29 TM3 polar (charge-assisted hydrogen bond)
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper I129 3.32x32 TM3 Van der Waals
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper I129 3.32x32 TM3 hydrophobic
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper C130 3.33x33 TM3 Van der Waals
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper C130 3.33x33 TM3 hydrophobic
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper L133 3.36x36 TM3 Van der Waals
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper I185 4.61x61 TM4 Van der Waals
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper I185 4.61x61 TM4 hydrophobic
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper S188 4.64x64 TM4 polar (hydrogen bond)
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper S188 4.64x64 TM4 polar (hydrogen bond with backbone)
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper I194 5.40x40 TM5 Van der Waals
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper I194 5.40x40 TM5 hydrophobic
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper L197 5.43x43 TM5 Van der Waals
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper F261 6.51x51 TM6 hydrophobic
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper F261 6.51x51 TM6 Van der Waals
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper H264 6.54x54 TM6 Van der Waals
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper H264 6.54x54 TM6 polar (hydrogen bond)
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper L265 6.55x55 TM6 Van der Waals
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper L265 6.55x55 TM6 hydrophobic
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper Y268 6.58x58 TM6 aromatic (face-to-edge)
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper Y268 6.58x58 TM6 Van der Waals
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper F284 7.35x34 TM7 hydrophobic
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper F284 7.35x34 TM7 Van der Waals
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper N285 7.36x35 TM7 polar (hydrogen bond)
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper L288 7.39x38 TM7 Van der Waals
[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper L288 7.39x38 TM7 hydrophobic

Ligands

[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper

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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
2x67 2.67x67 L107
TM3
3x21 3.21x21 T118
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
7x35 7.36x35 N285
7x38 7.39x38 L288