Structure information

CB2 receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

6KPC

SPECIES

Homo sapiens

RESOLUTION

3.200

PREFERRED CHAIN

A

PUBLICATION DATE

Feb. 12, 2020

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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
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile F87 2.57x57 TM2 aromatic (edge-to-face)
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile F91 2.61x61 TM2 hydrophobic
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile F94 2.64x64 TM2 hydrophobic
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile F106 3.25x25 TM3 hydrophobic
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile I110 3.29x29 TM3 hydrophobic
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile V113 3.32x32 TM3 hydrophobic
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile L182 ECL2 Van der Waals
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile L182 ECL2 polar (hydrogen bond with backbone)
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile F183 ECL2 aromatic (edge-to-face)
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile F183 ECL2 Van der Waals
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile Y190 5.39x39 TM5 polar (hydrogen bond)
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile L191 5.40x40 TM5 Van der Waals
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile W194 5.43x43 TM5 hydrophobic
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile W194 5.43x43 TM5 Van der Waals
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile M265 6.55x55 TM6 Van der Waals
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile F281 7.35x34 TM7 hydrophobic
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile F281 7.35x34 TM7 Van der Waals
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile S285 7.39x38 TM7 polar (hydrogen bond)
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile S285 7.39x38 TM7 Van der Waals
7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile C288 7.42x41 TM7 Van der Waals

Ligands

7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile

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Residue Diagrams

V N E L A S L L G L L T C L V A V A T K 1 G S L A G A D F L A S V V F A C S F V N 2 L L L S G V S A T F T M T V S G I K L L 3 A L V T L G I M W V L S A L V S Y L P L 4 Y T Y I I G S F L F A I F L L W S L L Y 5 G L V L A V L L I C W F P V L A L M A H 6 V P N V M S N I L C L M S C F A F A K 7
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ICL1 H Q L R R ICL1ECL1 F H G V D ECL1ICL2 P P S Y K A L L ICL2ECL2 W T C C P R P C S E L F P L I ECL2ICL3 H Q D R Q V P G M A R M ICL3ECL3 T L ECL3N-term M E E C W V T E I A N G S K D G L D S N P M K D Y M I L N-termC-term C V R G L G S E A K E E A P R S S V T E T E A D G K I T P W P D S R D L D L S D C C-term S G P Q K T A V A V L C T L L G L L S A L E N V A V L Y L I L S S K P S Y L F I G S L A G A D F L A S V V F A C S F V N F H V S K A V F L L K I G S V T M T F T A S V G S L L L T A I D R Y L C L R Y T R G R A L V T L G I M W V L S A L V S Y L P L M G P N D Y L L S W L L F I A F L F S G I I Y T Y G H V L W K A H Q H V A S L S G R L D V R L A K T L G L V L A V L L I C W F P V L A L M A H S L A T S D Q V K K A F A F C S M L C L I N S M V N P V I Y A L R S G E A H H W K K I R S S C L A H
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Residue Table


GPCRdb(A)
GPCRdb(A)
CB2 receptor
TM2
2x57 2.57x57 F87
2x61 2.61x61 F91
2x64 2.64x64 F94
TM3
3x25 3.25x25 F106
3x29 3.29x29 I110
3x32 3.32x32 V113
TM5
5x39 5.39x39 Y190
5x40 5.40x40 L191
5x43 5.43x43 W194
TM6
6x55 6.55x55 M265
TM7
7x34 7.35x34 F281
7x38 7.39x38 S285
7x41 7.42x41 C288