PDB
6B73
Resolution
3.1 Å
Released
Jan. 17, 2018
Receptor
κ
Class
A
Species
Homo sapiens
Ligand
Function
CHEMBL5431513
Agonist
Reference
10.1016/J.CELL.2017.12.011

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL5431513 T111 2.56x56 TM2 Van der Waals
CHEMBL5431513 F114 2.59x59 TM2 hydrophobic
CHEMBL5431513 Q115 2.60x60 TM2 hydrophobic
CHEMBL5431513 W124 23.50x50 ECL1 hydrophobic
CHEMBL5431513 V134 3.28x28 TM3 hydrophobic
CHEMBL5431513 L135 3.29x29 TM3 hydrophobic
CHEMBL5431513 D138 3.32x32 TM3 polar (hydrogen bond)
CHEMBL5431513 D138 3.32x32 TM3 polar (charge-charge)
CHEMBL5431513 D138 3.32x32 TM3 hydrophobic
CHEMBL5431513 Y139 3.33x33 TM3 hydrophobic
CHEMBL5431513 Y139 3.33x33 TM3 aromatic (pi-cation)
CHEMBL5431513 M142 3.36x36 TM3 hydrophobic
CHEMBL5431513 C210 45.50x50 ECL2 hydrophobic
CHEMBL5431513 V230 5.42x43 TM5 hydrophobic
CHEMBL5431513 W287 6.48x48 TM6 hydrophobic
CHEMBL5431513 H291 6.52x52 TM6 aromatic (edge-to-face)
CHEMBL5431513 I294 6.55x55 TM6 hydrophobic
CHEMBL5431513 Y312 7.35x34 TM7 Van der Waals
CHEMBL5431513 I316 7.39x38 TM7 hydrophobic
CHEMBL5431513 G319 7.42x41 TM7 Van der Waals
CHEMBL5431513 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
TM2
2x56 2.56x56 T111
2x59 2.59x59 F114
2x60 2.60x60 Q115
ECL1
23x50 23.50x50 W124
TM3
3x28 3.28x28 V134
3x29 3.29x29 I135
3x32 3.32x32 D138
3x33 3.33x33 Y139
3x36 3.36x36 M142
ECL2
45x50 45.50x50 C210
TM5
5x43 5.42x43 V230
TM6
6x48 6.48x48 W287
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