PDB
8FEG
Resolution
2.5 Å
Released
Dec. 6, 2023
Receptor
κ
Class
A
Species
Homo sapiens
Ligand
DNCP-beta-NalA(1)
Function
Agonist
Reference
10.1038/s41467-023-43718-w

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Ligand Amino Acid Generic Number Segment Interaction Type
DNCP-beta-NalA(1) V134 3.28x28 TM3 hydrophobic
DNCP-beta-NalA(1) L135 3.29x29 TM3 hydrophobic
DNCP-beta-NalA(1) Y139 3.33x33 TM3 hydrophobic
DNCP-beta-NalA(1) M142 3.36x36 TM3 hydrophobic
DNCP-beta-NalA(1) E209 ECL2 polar (charge-assisted hydrogen bond)
DNCP-beta-NalA(1) C210 45.50x50 ECL2 Van der Waals
DNCP-beta-NalA(1) C210 45.50x50 ECL2 polar (hydrogen bond with backbone)
DNCP-beta-NalA(1) S211 45.51x51 ECL2 Van der Waals
DNCP-beta-NalA(1) K227 5.39x40 TM5 Van der Waals
DNCP-beta-NalA(1) V230 5.42x43 TM5 hydrophobic
DNCP-beta-NalA(1) V230 5.42x43 TM5 Van der Waals
DNCP-beta-NalA(1) W287 6.48x48 TM6 hydrophobic
DNCP-beta-NalA(1) W287 6.48x48 TM6 Van der Waals
DNCP-beta-NalA(1) I290 6.51x51 TM6 Van der Waals
DNCP-beta-NalA(1) I290 6.51x51 TM6 hydrophobic
DNCP-beta-NalA(1) F293 6.54x54 TM6 Van der Waals
DNCP-beta-NalA(1) F293 6.54x54 TM6 hydrophobic
DNCP-beta-NalA(1) I294 6.55x55 TM6 hydrophobic
DNCP-beta-NalA(1) I294 6.55x55 TM6 Van der Waals
DNCP-beta-NalA(1) E297 6.58x58 TM6 polar (charge-assisted hydrogen bond)
DNCP-beta-NalA(1) T302 ECL3 Van der Waals
DNCP-beta-NalA(1) S303 ECL3 Van der Waals
DNCP-beta-NalA(1) S303 ECL3 polar (hydrogen bond with backbone)
DNCP-beta-NalA(1) S305 7.28x27 TM7 Van der Waals
DNCP-beta-NalA(1) S305 7.28x27 TM7 polar (hydrogen bond with backbone)
DNCP-beta-NalA(1) S305 7.28x27 TM7 polar (hydrogen bond)
DNCP-beta-NalA(1) L309 7.32x31 TM7 hydrophobic
DNCP-beta-NalA(1) L309 7.32x31 TM7 Van der Waals
DNCP-beta-NalA(1) Y312 7.35x34 TM7 polar (hydrogen bond)
DNCP-beta-NalA(1) I316 7.39x38 TM7 hydrophobic
DNCP-beta-NalA(1) Y320 7.43x42 TM7 Van der Waals
DNCP-beta-NalA(1) 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
3x28 3.28x28 V134
3x29 3.29x29 I135
3x33 3.33x33 Y139
3x36 3.36x36 M142
ECL2
45x50 45.50x50 C210
45x51 45.51x51 S211
TM5
5x40 5.39x40 K227
5x43 5.42x43 V230
TM6
6x48 6.48x48 W287
6x51 6.51x51 I290
6x54 6.54x54 F293
6x55 6.55x55 I294
6x58 6.58x58 E297
TM7
7x27 7.28x27 S305
7x31 7.32x31 L309
7x34 7.35x34 Y312
7x38 7.39x38 I316
7x42 7.43x42 Y320