PDB
8VVF
Resolution
3.0 Å
Released
Jan. 15, 2025
Receptor
κ
Class
A
Species
Homo sapiens
Ligand
JDTic
Function
Inverse agonist
Reference
10.1038/S41589-024-01812-0

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Ligand Amino Acid Generic Number Segment Interaction Type
JDTic I135 3.29x29 TM3 hydrophobic
JDTic D138 3.32x32 TM3 polar (charge-assisted hydrogen bond)
JDTic Y139 3.33x33 TM3 Van der Waals
JDTic Y139 3.33x33 TM3 aromatic (edge-to-face)
JDTic M142 3.36x36 TM3 Van der Waals
JDTic M142 3.36x36 TM3 hydrophobic
JDTic K227 5.39x40 TM5 polar (charge-assisted hydrogen bond)
JDTic W287 6.48x48 TM6 Van der Waals
JDTic I290 6.51x51 TM6 hydrophobic
JDTic I290 6.51x51 TM6 Van der Waals
JDTic H291 6.52x52 TM6 Van der Waals
JDTic H291 6.52x52 TM6 aromatic (face-to-edge)
JDTic I294 6.55x55 TM6 hydrophobic
JDTic I294 6.55x55 TM6 Van der Waals
JDTic Y312 7.35x34 TM7 Van der Waals
JDTic I316 7.39x38 TM7 hydrophobic
JDTic I316 7.39x38 TM7 Van der Waals
JDTic G319 7.42x41 TM7 Van der Waals
JDTic Y320 7.43x42 TM7 Van der Waals
JDTic Y320 7.43x42 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
κ receptor
TM3
3x29 3.29x29 I135
3x32 3.32x32 D138
3x33 3.33x33 Y139
3x36 3.36x36 M142
TM5
5x40 5.39x40 K227
TM6
6x48 6.48x48 W287
6x51 6.51x51 I290
6x52 6.52x52 H291
6x55 6.55x55 I294
TM7
7x34 7.35x34 Y312
7x38 7.39x38 I316
7x41 7.42x41 G319
7x42 7.43x42 Y320