PDB
8ZPM
Resolution
3.2 Å
Released
Feb. 26, 2025
Receptor
CXCR4
Class
A
Species
Homo sapiens
Ligand
mavorixafor
Function
Antagonist
Reference
—

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Ligand Amino Acid Generic Number Segment Interaction Type
mavorixafor Y45 1.39x39 TM1 hydrophobic
mavorixafor W94 2.60x60 TM2 hydrophobic
mavorixafor D97 2.63x63 TM2 polar (charge-assisted hydrogen bond)
mavorixafor Y116 3.32x32 TM3 hydrophobic
mavorixafor Y116 3.32x32 TM3 Van der Waals
mavorixafor C186 45.50x50 ECL2 polar (hydrogen bond with backbone)
mavorixafor C186 45.50x50 ECL2 Van der Waals
mavorixafor D187 45.51x51 ECL2 Van der Waals
mavorixafor H289 7.32x31 TM7 Van der Waals
mavorixafor I292 7.35x34 TM7 hydrophobic
mavorixafor I292 7.35x34 TM7 Van der Waals
mavorixafor S293 7.36x35 TM7 Van der Waals
mavorixafor E296 7.39x38 TM7 polar (charge-assisted hydrogen bond)
mavorixafor F300 7.43x42 TM7 aromatic (edge-to-face)
mavorixafor F300 7.43x42 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
CXCR4
TM1
1x39 1.39x39 Y45
TM2
2x60 2.60x60 W94
2x63 2.63x63 D97
TM3
3x32 3.32x32 Y116
ECL2
45x50 45.50x50 C186
45x51 45.51x51 D187
TM7
7x31 7.32x31 H281
7x34 7.35x34 I284
7x35 7.36x35 S285
7x38 7.39x38 E288
7x42 7.43x42 F292