PDB
9AST
Resolution
3.1 Å
Released
Dec. 11, 2024
Receptor
XCR1
Class
A
Species
Homo sapiens
Ligand
XCL1 CC3
Function
Agonist
Reference
10.1073/PNAS.2405732121

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Ligand Amino Acid Generic Number Segment Interaction Type
XCL1 CC3 P21 N-term hydrophobic
XCL1 CC3 C22 N-term Van der Waals
XCL1 CC3 C22 N-term polar (hydrogen bond with backbone)
XCL1 CC3 E23 N-term Van der Waals
XCL1 CC3 N24 N-term Van der Waals
XCL1 CC3 N24 N-term polar (hydrogen bond with backbone)
XCL1 CC3 W27 1.28x28 TM1 Van der Waals
XCL1 CC3 W27 1.28x28 TM1 hydrophobic
XCL1 CC3 W87 2.60x60 TM2 Van der Waals
XCL1 CC3 W87 2.60x60 TM2 hydrophobic
XCL1 CC3 Y91 2.64x64 TM2 hydrophobic
XCL1 CC3 Y91 2.64x64 TM2 Van der Waals
XCL1 CC3 N106 3.29x29 TM3 polar (hydrogen bond)
XCL1 CC3 N106 3.29x29 TM3 Van der Waals
XCL1 CC3 F109 3.32x32 TM3 Van der Waals
XCL1 CC3 F109 3.32x32 TM3 hydrophobic
XCL1 CC3 C175 45.50x50 ECL2 Van der Waals
XCL1 CC3 D176 45.51x51 ECL2 Van der Waals
XCL1 CC3 Y177 45.52x52 ECL2 hydrophobic
XCL1 CC3 Y177 45.52x52 ECL2 Van der Waals
XCL1 CC3 Y183 5.36x36 TM5 Van der Waals
XCL1 CC3 S186 5.39x39 TM5 Van der Waals
XCL1 CC3 Y241 6.51x51 TM6 Van der Waals
XCL1 CC3 R273 7.39x38 TM7 polar (charge-assisted hydrogen bond)

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

GPCRdb(A)
GPCRdb(A)
XCR1
TM1
1x28 1.28x28 W27
TM2
2x60 2.60x60 W87
2x64 2.64x64 Y91
TM3
3x29 3.29x29 N106
3x32 3.32x32 F109
ECL2
45x50 45.50x50 C175
45x51 45.51x51 D176
45x52 45.52x52 Y177
TM5
5x36 5.36x36 Y183
5x39 5.39x39 S186
TM6
6x51 6.51x51 Y241
TM7
7x38 7.39x38 R273