PDB
7F61
Resolution
2.6 Å
Released
Oct. 26, 2022
Receptor
H3
Class
A
Species
Homo sapiens
Ligand
PF-03654746
Function
Antagonist
Reference
10.1038/S41467-022-33880-Y

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Ligand Amino Acid Generic Number Segment Interaction Type
PF-03654746 Y91 2.61x60 TM2 polar (hydrogen bond)
PF-03654746 Y91 2.61x60 TM2 Van der Waals
PF-03654746 Y94 2.64x63 TM2 Van der Waals
PF-03654746 Y94 2.64x63 TM2 polar (hydrogen bond)
PF-03654746 W110 3.28x28 TM3 Van der Waals
PF-03654746 W110 3.28x28 TM3 hydrophobic
PF-03654746 D114 3.32x32 TM3 polar (charge-assisted hydrogen bond)
PF-03654746 Y115 3.33x33 TM3 polar (hydrogen bond)
PF-03654746 Y115 3.33x33 TM3 Van der Waals
PF-03654746 C118 3.36x36 TM3 Van der Waals
PF-03654746 C188 45.50x50 ECL2 polar (hydrogen bond with backbone)
PF-03654746 C188 45.50x50 ECL2 Van der Waals
PF-03654746 Y189 45.51x51 ECL2 hydrophobic
PF-03654746 Y189 45.51x51 ECL2 Van der Waals
PF-03654746 F193 ECL2 aromatic (face-to-edge)
PF-03654746 F193 ECL2 Van der Waals
PF-03654746 Y374 6.51x51 TM6 polar (hydrogen bond)
PF-03654746 Y374 6.51x51 TM6 Van der Waals
PF-03654746 E395 7.36x35 TM7 Van der Waals
PF-03654746 F398 7.39x38 TM7 hydrophobic
PF-03654746 F398 7.39x38 TM7 Van der Waals
PF-03654746 L401 7.42x41 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
H3 receptor
TM2
2x60 2.61x60 Y91
2x63 2.64x63 Y94
TM3
3x28 3.28x28 W110
3x32 3.32x32 D114
3x33 3.33x33 Y115
3x36 3.36x36 C118
ECL2
45x50 45.50x50 C188
45x51 45.51x51 Y189
TM6
6x51 6.51x51 Y374
TM7
7x35 7.36x35 E395
7x38 7.39x38 F398
7x41 7.42x41 L401