PDB
8JXW
Resolution
3.0 Å
Released
March 20, 2024
Receptor
H4
Class
A
Species
Homo sapiens
Ligand
Function
CHEMBL213912
Agonist
Reference
10.1038/S41467-024-46840-5

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL213912 D94 3.32x32 TM3 polar (charge-charge)
CHEMBL213912 Y95 3.33x33 TM3 hydrophobic
CHEMBL213912 C98 3.36x36 TM3 Van der Waals
CHEMBL213912 T99 3.37x37 TM3 Van der Waals
CHEMBL213912 V146 4.56x56 TM4 hydrophobic
CHEMBL213912 N147 4.57x57 TM4 Van der Waals
CHEMBL213912 F169 ECL2 hydrophobic
CHEMBL213912 L175 5.39x40 TM5 Van der Waals
CHEMBL213912 T178 5.42x43 TM5 halogen contact
CHEMBL213912 T178 5.42x43 TM5 hydrophobic
CHEMBL213912 E182 5.46x461 TM5 hydrophobic
CHEMBL213912 Y319 6.51x51 TM6 aromatic (pi-cation)
CHEMBL213912 Y319 6.51x51 TM6 aromatic (edge-to-face)
CHEMBL213912 Y319 6.51x51 TM6 hydrophobic
CHEMBL213912 T323 6.55x55 TM6 Van der Waals
CHEMBL213912 F344 7.39x38 TM7 aromatic (pi-cation)
CHEMBL213912 Q347 7.42x41 TM7 Van der Waals
CHEMBL213912 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
TM4
4x56 4.56x56 V146
4x57 4.57x57 N147
TM5
5x40 5.39x40 L175
5x43 5.42x43 T178
5x461 5.46x461 E182
TM6
6x51 6.51x51 Y319
6x55 6.55x55 T323
TM7
7x38 7.39x38 F344
7x41 7.42x41 Q347
7x42 7.43x42 W348