PDB
9E82
Resolution
3.4 Å
Released
April 2, 2025
Receptor
ACKR3
Class
A
Species
Homo sapiens
Ligand
SDF-1-beta(3-72)
Function
Agonist
Reference
10.1038/S41586-025-09024-9

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Ligand Amino Acid Generic Number Segment Interaction Type
SDF-1-beta(3-72) W100 2.60x60 TM2 hydrophobic
SDF-1-beta(3-72) S103 2.63x63 TM2 polar (hydrogen bond)
SDF-1-beta(3-72) S103 2.63x63 TM2 Van der Waals
SDF-1-beta(3-72) N108 ECL1 Van der Waals
SDF-1-beta(3-72) H121 3.29x29 TM3 Van der Waals
SDF-1-beta(3-72) L128 3.36x36 TM3 Van der Waals
SDF-1-beta(3-72) L128 3.36x36 TM3 hydrophobic
SDF-1-beta(3-72) F129 3.37x37 TM3 Van der Waals
SDF-1-beta(3-72) F129 3.37x37 TM3 hydrophobic
SDF-1-beta(3-72) C196 45.50x50 ECL2 polar (hydrogen bond with backbone)
SDF-1-beta(3-72) C196 45.50x50 ECL2 Van der Waals
SDF-1-beta(3-72) R197 45.51x51 ECL2 Van der Waals
SDF-1-beta(3-72) S198 45.52x52 ECL2 polar (hydrogen bond)
SDF-1-beta(3-72) Y200 ECL2 polar (hydrogen bond)
SDF-1-beta(3-72) I205 5.31x32 TM5 hydrophobic
SDF-1-beta(3-72) I205 5.31x32 TM5 Van der Waals
SDF-1-beta(3-72) Y268 6.51x51 TM6 polar (hydrogen bond)
SDF-1-beta(3-72) I279 6.62x62 TM6 Van der Waals
SDF-1-beta(3-72) E290 7.28x27 TM7 polar (charge-assisted hydrogen bond)
SDF-1-beta(3-72) L297 7.35x34 TM7 hydrophobic
SDF-1-beta(3-72) L297 7.35x34 TM7 Van der Waals
SDF-1-beta(3-72) Q301 7.39x38 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
ACKR3
TM2
2x60 2.60x60 W100
2x63 2.63x63 S103
TM3
3x29 3.29x29 H121
3x36 3.36x36 L128
3x37 3.37x37 F129
ECL2
45x50 45.50x50 C196
45x51 45.51x51 R197
45x52 45.52x52 S198
TM5
5x32 5.31x32 I205
TM6
6x51 6.51x51 Y268
6x62 6.62x62 I279
TM7
7x27 7.28x27 E290
7x34 7.35x34 L297
7x38 7.39x38 Q301