PDB
8JXX
Resolution
3.1 Å
Released
March 20, 2024
Receptor
H4
Class
A
Species
Homo sapiens
Ligand
Function
clobenpropit
Agonist (partial)
Reference
10.1038/S41467-024-46840-5

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Ligand Amino Acid Generic Number Segment Interaction Type
clobenpropit D94 3.32x32 TM3 polar (hydrogen bond)
clobenpropit D94 3.32x32 TM3 polar (charge-charge)
clobenpropit Y95 3.33x33 TM3 hydrophobic
clobenpropit Y95 3.33x33 TM3 aromatic (pi-cation)
clobenpropit C98 3.36x36 TM3 hydrophobic
clobenpropit T99 3.37x37 TM3 polar (hydrogen bond)
clobenpropit L175 5.39x40 TM5 hydrophobic
clobenpropit T178 5.42x43 TM5 hydrophobic
clobenpropit S179 5.43x44 TM5 Van der Waals
clobenpropit E182 5.46x461 TM5 polar (hydrogen bond)
clobenpropit E182 5.46x461 TM5 polar (charge-charge)
clobenpropit W316 6.48x48 TM6 Van der Waals
clobenpropit Y319 6.51x51 TM6 hydrophobic
clobenpropit Y319 6.51x51 TM6 aromatic (pi-cation)
clobenpropit T323 6.55x55 TM6 Van der Waals
clobenpropit F344 7.39x38 TM7 aromatic (face-to-face)
clobenpropit F344 7.39x38 TM7 aromatic (pi-cation)
clobenpropit Q347 7.42x41 TM7 Van der Waals
clobenpropit W348 7.43x42 TM7 aromatic (edge-to-face)
clobenpropit W348 7.43x42 TM7 aromatic (pi-cation)

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

GPCRdb(A)
GPCRdb(A)
H4 receptor
TM3
3x32 3.32x32 D94
3x33 3.33x33 Y95
3x36 3.36x36 C98
3x37 3.37x37 T99
TM5
5x40 5.39x40 L175
5x43 5.42x43 T178
5x44 5.43x44 S179
5x461 5.46x461 E182
TM6
6x48 6.48x48 W316
6x51 6.51x51 Y319
6x55 6.55x55 T323
TM7
7x38 7.39x38 F344
7x41 7.42x41 Q347
7x42 7.43x42 W348