PDB
8XWA
Resolution
3.5 Å
Released
Jan. 15, 2025
Receptor
CXCR2
Class
A
Species
Homo sapiens
Ligand
CXCL1
Function
Agonist
Reference
10.1016/J.MOLCEL.2025.01.024

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Ligand Amino Acid Generic Number Segment Interaction Type
CXCL1 L34 N-term Van der Waals
CXCL1 L34 N-term hydrophobic
CXCL1 A36 N-term Van der Waals
CXCL1 A36 N-term hydrophobic
CXCL1 A37 N-term Van der Waals
CXCL1 P38 N-term Van der Waals
CXCL1 P38 N-term hydrophobic
CXCL1 C39 N-term Van der Waals
CXCL1 C39 N-term polar (hydrogen bond with backbone)
CXCL1 S43 N-term Van der Waals
CXCL1 S43 N-term polar (hydrogen bond)
CXCL1 K108 2.64x64 TM2 Van der Waals
CXCL1 V109 2.65x65 TM2 Van der Waals
CXCL1 V187 ECL2 Van der Waals
CXCL1 V187 ECL2 hydrophobic
CXCL1 N191 ECL2 polar (hydrogen bond)
CXCL1 N191 ECL2 polar (hydrogen bond)
CXCL1 V192 ECL2 Van der Waals
CXCL1 V192 ECL2 hydrophobic
CXCL1 S193 ECL2 polar (hydrogen bond with backbone)
CXCL1 S193 ECL2 polar (hydrogen bond)
CXCL1 S193 ECL2 Van der Waals
CXCL1 Y197 45.51x51 ECL2 hydrophobic
CXCL1 Y197 45.51x51 ECL2 Van der Waals
CXCL1 D199 ECL2 Van der Waals
CXCL1 N202 ECL2 Van der Waals
CXCL1 T204 5.31x32 TM5 Van der Waals
CXCL1 R208 5.35x36 TM5 polar (charge-assisted hydrogen bond)
CXCL1 R212 5.39x40 TM5 Van der Waals
CXCL1 D274 6.58x58 TM6 polar (charge-assisted hydrogen bond)
CXCL1 M277 6.61x61 TM6 Van der Waals
CXCL1 R278 6.62x62 TM6 polar (charge-assisted hydrogen bond)
CXCL1 E284 ECL3 Van der Waals
CXCL1 R289 7.28x27 TM7 polar (charge-assisted hydrogen bond)
CXCL1 D293 7.32x31 TM7 polar (charge-assisted hydrogen bond)
CXCL1 L296 7.35x34 TM7 hydrophobic
CXCL1 L296 7.35x34 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
CXCR2
TM2
2x64 2.64x64 K108
2x65 2.65x65 V109
ECL2
45x51 45.51x51 Y197
TM5
5x32 5.31x32 T204
5x36 5.35x36 R208
5x40 5.39x40 R212
TM6
6x58 6.58x58 D274
6x61 6.61x61 M277
6x62 6.62x62 R278
TM7
7x27 7.28x27 R289
7x31 7.32x31 D293
7x34 7.35x34 L296