PDB
8K2W
Resolution
3.0 Å
Released
Nov. 29, 2023
Receptor
CXCR3
Class
A
Species
Homo sapiens
Ligand
Function
CHEMBL397983
Antagonist
Reference
10.1038/S41421-023-00617-0

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL397983 L56 1.35x35 TM1 Van der Waals
CHEMBL397983 L59 1.38x38 TM1 Van der Waals
CHEMBL397983 Y60 1.39x39 TM1 hydrophobic
CHEMBL397983 L63 1.42x42 TM1 Van der Waals
CHEMBL397983 L106 2.57x57 TM2 Van der Waals
CHEMBL397983 W109 2.60x60 TM2 aromatic (face-to-face)
CHEMBL397983 W109 2.60x60 TM2 aromatic (edge-to-face)
CHEMBL397983 W109 2.60x60 TM2 hydrophobic
CHEMBL397983 G128 3.29x29 TM3 Van der Waals
CHEMBL397983 L190 ECL2 Van der Waals
CHEMBL397983 C203 45.50x50 ECL2 Van der Waals
CHEMBL397983 Y279 6.51x51 TM6 Van der Waals
CHEMBL397983 K308 7.35x34 TM7 Van der Waals
CHEMBL397983 S309 7.36x35 TM7 polar (hydrogen bond)
CHEMBL397983 S312 7.39x38 TM7 polar (hydrogen bond)
CHEMBL397983 G313 7.40x39 TM7 Van der Waals
CHEMBL397983 Y316 7.43x42 TM7 hydrophobic
CHEMBL397983 Y316 7.43x42 TM7 polar (hydrogen bond)

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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
1x38 1.38x38 L59
1x39 1.39x39 Y60
1x42 1.42x42 L63
TM2
2x57 2.57x57 L106
2x60 2.60x60 W109
TM3
3x29 3.29x29 G128
ECL2
45x50 45.50x50 C203
TM6
6x51 6.51x51 Y271
TM7
7x34 7.35x34 K300
7x35 7.36x35 S301
7x38 7.39x38 S304
7x39 7.40x39 G305
7x42 7.43x42 Y308