PDB
8HNK
Resolution
3.0 Å
Released
Nov. 29, 2023
Receptor
CXCR3
Class
A
Species
Homo sapiens
Ligand
Function
[125I]CXCL11 (human)
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 Van der Waals
[125I]CXCL11 (human) P41 N-term Van der Waals
[125I]CXCL11 (human) P42 N-term hydrophobic
[125I]CXCL11 (human) C43 N-term hydrophobic
[125I]CXCL11 (human) Q45 N-term Van der Waals
[125I]CXCL11 (human) D52 1.31x31 TM1 polar (charge-charge)
[125I]CXCL11 (human) W109 2.60x60 TM2 hydrophobic
[125I]CXCL11 (human) G128 3.29x29 TM3 Van der Waals
[125I]CXCL11 (human) F131 3.32x32 TM3 aromatic (edge-to-face)
[125I]CXCL11 (human) F131 3.32x32 TM3 hydrophobic
[125I]CXCL11 (human) N132 3.33x33 TM3 Van der Waals
[125I]CXCL11 (human) F135 3.36x36 TM3 aromatic (edge-to-face)
[125I]CXCL11 (human) F135 3.36x36 TM3 hydrophobic
[125I]CXCL11 (human) L190 4.64x65 TM4 Van der Waals
[125I]CXCL11 (human) E196 ECL2 hydrophobic
[125I]CXCL11 (human) R197 ECL2 polar (hydrogen bond)
[125I]CXCL11 (human) R197 ECL2 polar (charge-charge)
[125I]CXCL11 (human) L198 ECL2 Van der Waals
[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) Y205 45.52x52 ECL2 hydrophobic
[125I]CXCL11 (human) N206 ECL2 polar (hydrogen bond with backbone)
[125I]CXCL11 (human) F207 ECL2 Van der Waals
[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 hydrophobic
[125I]CXCL11 (human) R212 5.35x36 TM5 polar (hydrogen bond)
[125I]CXCL11 (human) L215 5.38x39 TM5 hydrophobic
[125I]CXCL11 (human) R216 5.39x40 TM5 hydrophobic
[125I]CXCL11 (human) Q219 5.42x43 TM5 Van der Waals
[125I]CXCL11 (human) Y271 6.51x51 TM6 hydrophobic
[125I]CXCL11 (human) D278 6.58x58 TM6 polar (charge-charge)
[125I]CXCL11 (human) D282 6.62x62 TM6 polar (charge-charge)
[125I]CXCL11 (human) R288 ECL3 hydrophobic
[125I]CXCL11 (human) N289 7.24x23 TM7 Van der Waals
[125I]CXCL11 (human) E293 7.28x27 TM7 polar (charge-charge)
[125I]CXCL11 (human) D297 7.32x31 TM7 polar (charge-charge)
[125I]CXCL11 (human) S304 7.39x38 TM7 Van der Waals
[125I]CXCL11 (human) 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
1x31 1.31x31 D52
TM2
2x60 2.60x60 W109
TM3
3x29 3.29x29 G128
3x32 3.32x32 F131
3x33 3.33x33 N132
3x36 3.36x36 F135
TM4
4x65 4.64x65 L190
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
6x58 6.58x58 D278
6x62 6.62x62 D282
TM7
7x23 7.24x23 N289
7x27 7.28x27 E293
7x31 7.32x31 D297
7x38 7.39x38 S304
7x42 7.43x42 Y308