PDB
9PEE
Resolution
3.4 Å
Released
Oct. 1, 2025
Receptor
CCR6
Class
A
Species
Homo sapiens
Ligands
Function
PF-07054894
Allosteric antagonist
OXM2
Allosteric antagonist
Reference
—
PF-07054894 OXM2

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Ligand Amino Acid Generic Number Segment Interaction Type
PF-07054894 V67 1.53x53 TM1 hydrophobic
PF-07054894 T70 1.56x56 TM1 Van der Waals
PF-07054894 F71 1.57x57 TM1 aromatic (pi-cation)
PF-07054894 Y74 1.60x60 TM1 aromatic (edge-to-face)
PF-07054894 A77 ICL1 Van der Waals
PF-07054894 R78 ICL1 Van der Waals
PF-07054894 S79 2.37x37 TM2 polar (hydrogen bond)
PF-07054894 T81 2.39x39 TM2 hydrophobic
PF-07054894 D82 2.40x40 TM2 hydrophobic
PF-07054894 D82 2.40x40 TM2 polar (charge-charge)
PF-07054894 D82 2.40x40 TM2 polar (hydrogen bond)
OXM2 K122 3.29x29 TM3 Van der Waals
OXM2 Y125 3.32x32 TM3 Van der Waals
OXM2 A126 3.33x33 TM3 Van der Waals
OXM2 F129 3.36x36 TM3 hydrophobic
OXM2 N130 3.37x37 TM3 polar (hydrogen bond)
PF-07054894 R143 3.50x50 TM3 Van der Waals
OXM2 I178 4.56x56 TM4 Van der Waals
OXM2 T182 4.60x61 TM4 Van der Waals
OXM2 L215 5.39x40 TM5 hydrophobic
OXM2 L219 5.43x44 TM5 hydrophobic
OXM2 F223 5.47x47 TM5 Van der Waals
PF-07054894 A364 6.33x33 TM6 Van der Waals
PF-07054894 V367 6.36x36 TM6 Van der Waals
PF-07054894 I368 6.37x37 TM6 Van der Waals
OXM2 I380 6.49x49 TM6 hydrophobic
OXM2 N383 6.52x52 TM6 hydrophobic
OXM2 N383 6.52x52 TM6 polar (hydrogen bond)
OXM2 M384 6.53x53 TM6 Van der Waals
OXM2 L386 6.55x55 TM6 Van der Waals
OXM2 L387 6.56x56 TM6 hydrophobic
PF-07054894 Y428 7.53x53 TM7 hydrophobic
PF-07054894 K434 8.49x49 H8 aromatic (pi-cation)
PF-07054894 F435 8.50x50 H8 Van der Waals
PF-07054894 Y438 8.53x53 H8 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
CCR6
TM1
1x53 1.53x53 V67
1x56 1.56x56 T70
1x57 1.57x57 F71
1x60 1.60x60 Y74
TM2
2x37 2.37x37 S79
2x39 2.39x39 T81
2x40 2.40x40 D82
TM3
3x29 3.29x29 K122
3x32 3.32x32 Y125
3x33 3.33x33 A126
3x36 3.36x36 F129
3x37 3.37x37 N130
3x50 3.50x50 R143
TM4
4x56 4.56x56 I178
4x61 4.60x61 T182
TM5
5x40 5.39x40 L215
5x44 5.43x44 L219
5x47 5.47x47 F223
TM6
6x33 6.33x33 A252
6x36 6.36x36 V255
6x37 6.37x37 I256
6x49 6.49x49 I268
6x52 6.52x52 N271
6x53 6.53x53 M272
6x55 6.55x55 L274
6x56 6.56x56 L275
TM7
7x53 7.53x53 Y316
H8
8x49 8.49x49 K322
8x50 8.50x50 F323
8x53 8.53x53 Y326