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

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Ligand Amino Acid Generic Number Segment Interaction Type
clozapine D94 3.32x32 TM3 polar (charge-charge)
clozapine Y95 3.33x33 TM3 Van der Waals
clozapine C98 3.36x36 TM3 Van der Waals
clozapine T99 3.37x37 TM3 hydrophobic
clozapine V146 4.56x56 TM4 Van der Waals
clozapine N147 4.57x57 TM4 hydrophobic
clozapine F169 ECL2 hydrophobic
clozapine L175 5.39x40 TM5 hydrophobic
clozapine T178 5.42x43 TM5 hydrophobic
clozapine S179 5.43x44 TM5 Van der Waals
clozapine E182 5.46x461 TM5 hydrophobic
clozapine Y319 6.51x51 TM6 aromatic (pi-cation)
clozapine Y319 6.51x51 TM6 hydrophobic
clozapine Y319 6.51x51 TM6 aromatic (edge-to-face)
clozapine T323 6.55x55 TM6 hydrophobic
clozapine F344 7.39x38 TM7 aromatic (pi-cation)
clozapine Q347 7.42x41 TM7 Van der Waals
clozapine 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
5x44 5.43x44 S179
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