PDB
8HNK
Resolution
3.0 Å
Released
Nov. 29, 2023
Receptor
CXCR3
Class
A
Species
Homo sapiens
Ligand
[125I]CXCL11 (human)
Function
Agonist
Reference
10.1038/S41594-023-01175-5

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Ligand Amino Acid Generic Number Segment Interaction Type
[125I]CXCL11 (human) S40 N-term polar (hydrogen bond with backbone)
[125I]CXCL11 (human) S40 N-term Van der Waals
[125I]CXCL11 (human) S40 N-term polar (hydrogen bond)
[125I]CXCL11 (human) P41 N-term Van der Waals
[125I]CXCL11 (human) P42 N-term Van der Waals
[125I]CXCL11 (human) P42 N-term polar (hydrogen bond with backbone)
[125I]CXCL11 (human) C43 N-term Van der Waals
[125I]CXCL11 (human) D52 1.31x31 TM1 polar (charge-assisted hydrogen bond)
[125I]CXCL11 (human) W109 2.60x60 TM2 hydrophobic
[125I]CXCL11 (human) W109 2.60x60 TM2 Van der Waals
[125I]CXCL11 (human) F131 3.32x32 TM3 Van der Waals
[125I]CXCL11 (human) F131 3.32x32 TM3 aromatic (edge-to-face)
[125I]CXCL11 (human) N132 3.33x33 TM3 Van der Waals
[125I]CXCL11 (human) F135 3.36x36 TM3 Van der Waals
[125I]CXCL11 (human) F135 3.36x36 TM3 aromatic (face-to-edge)
[125I]CXCL11 (human) E196 ECL2 Van der Waals
[125I]CXCL11 (human) R197 ECL2 polar (charge-assisted hydrogen bond)
[125I]CXCL11 (human) H202 ECL2 Van der Waals
[125I]CXCL11 (human) C203 45.50x50 ECL2 Van der Waals
[125I]CXCL11 (human) Q204 45.51x51 ECL2 Van der Waals
[125I]CXCL11 (human) Q204 45.51x51 ECL2 polar (hydrogen bond)
[125I]CXCL11 (human) Y205 45.52x52 ECL2 Van der Waals
[125I]CXCL11 (human) Y205 45.52x52 ECL2 hydrophobic
[125I]CXCL11 (human) N206 ECL2 Van der Waals
[125I]CXCL11 (human) N206 ECL2 polar (hydrogen bond with backbone)
[125I]CXCL11 (human) F207 ECL2 polar (hydrogen bond with backbone)
[125I]CXCL11 (human) F207 ECL2 Van der Waals
[125I]CXCL11 (human) P208 5.31x32 TM5 polar (hydrogen bond with backbone)
[125I]CXCL11 (human) P208 5.31x32 TM5 Van der Waals
[125I]CXCL11 (human) Q209 5.32x33 TM5 Van der Waals
[125I]CXCL11 (human) R212 5.35x36 TM5 polar (charge-assisted hydrogen bond)
[125I]CXCL11 (human) L215 5.38x39 TM5 hydrophobic
[125I]CXCL11 (human) L215 5.38x39 TM5 Van der Waals
[125I]CXCL11 (human) R216 5.39x40 TM5 Van der Waals
[125I]CXCL11 (human) Q219 5.42x43 TM5 Van der Waals
[125I]CXCL11 (human) Y271 6.51x51 TM6 hydrophobic
[125I]CXCL11 (human) Y271 6.51x51 TM6 Van der Waals
[125I]CXCL11 (human) D282 6.62x62 TM6 polar (charge-assisted hydrogen bond)
[125I]CXCL11 (human) R288 ECL3 Van der Waals
[125I]CXCL11 (human) E293 7.28x27 TM7 polar (charge-assisted hydrogen bond)
[125I]CXCL11 (human) S304 7.39x38 TM7 polar (hydrogen bond)
[125I]CXCL11 (human) Y308 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
1x31 1.31x31 D52
TM2
2x60 2.60x60 W109
TM3
3x32 3.32x32 F131
3x33 3.33x33 N132
3x36 3.36x36 F135
ECL2
45x50 45.50x50 C203
45x51 45.51x51 Q204
45x52 45.52x52 Y205
TM5
5x32 5.31x32 P208
5x33 5.32x33 Q209
5x36 5.35x36 R212
5x39 5.38x39 L215
5x40 5.39x40 R216
5x43 5.42x43 Q219
TM6
6x51 6.51x51 Y271
6x62 6.62x62 D282
TM7
7x27 7.28x27 E293
7x38 7.39x38 S304
7x42 7.43x42 Y308