PDB
8XYK
Resolution
3.0 Å
Released
Feb. 26, 2025
Receptor
CXCR3
Class
A
Species
Homo sapiens
Ligand
CHEMBL2181467
Function
Agonist
Reference
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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL2181467 L56 1.35x35 TM1 hydrophobic
CHEMBL2181467 Y60 1.39x39 TM1 Van der Waals
CHEMBL2181467 Y60 1.39x39 TM1 polar (hydrogen bond)
CHEMBL2181467 W109 2.60x60 TM2 hydrophobic
CHEMBL2181467 W109 2.60x60 TM2 Van der Waals
CHEMBL2181467 D112 2.63x63 TM2 Van der Waals
CHEMBL2181467 A113 2.64x64 TM2 Van der Waals
CHEMBL2181467 A113 2.64x64 TM2 hydrophobic
CHEMBL2181467 G128 3.29x29 TM3 Van der Waals
CHEMBL2181467 F131 3.32x32 TM3 aromatic (face-to-edge)
CHEMBL2181467 F131 3.32x32 TM3 Van der Waals
CHEMBL2181467 N132 3.33x33 TM3 Van der Waals
CHEMBL2181467 F135 3.36x36 TM3 aromatic (face-to-edge)
CHEMBL2181467 F135 3.36x36 TM3 Van der Waals
CHEMBL2181467 Y205 45.52x52 ECL2 Van der Waals
CHEMBL2181467 Y205 45.52x52 ECL2 hydrophobic
CHEMBL2181467 R216 5.39x40 TM5 Van der Waals
CHEMBL2181467 Q219 5.42x43 TM5 Van der Waals
CHEMBL2181467 Y271 6.51x51 TM6 hydrophobic
CHEMBL2181467 Y271 6.51x51 TM6 Van der Waals
CHEMBL2181467 D297 7.32x31 TM7 polar (charge-assisted hydrogen bond)
CHEMBL2181467 K300 7.35x34 TM7 Van der Waals
CHEMBL2181467 S301 7.36x35 TM7 Van der Waals
CHEMBL2181467 S304 7.39x38 TM7 Van der Waals
CHEMBL2181467 Y308 7.43x42 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
CXCR3
TM1
1x35 1.35x35 L56
1x39 1.39x39 Y60
TM2
2x60 2.60x60 W109
2x63 2.63x63 D112
2x64 2.64x64 A113
TM3
3x29 3.29x29 G128
3x32 3.32x32 F131
3x33 3.33x33 N132
3x36 3.36x36 F135
ECL2
45x52 45.52x52 Y205
TM5
5x40 5.39x40 R216
5x43 5.42x43 Q219
TM6
6x51 6.51x51 Y271
TM7
7x31 7.32x31 D297
7x34 7.35x34 K300
7x35 7.36x35 S301
7x38 7.39x38 S304
7x42 7.43x42 Y308