Structure information

H3 receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

7F61

SPECIES

Homo sapiens

RESOLUTION

2.600

PREFERRED CHAIN

A

REFERENCE

10.1038/S41467-022-33880-Y

PUBLICATION DATE

Oct. 26, 2022

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Ligand Interaction Browser

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Ligand Amino Acid Generic Number Segment Interaction Type
Ligand Amino Acid Generic Number Segment Interaction Type
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide Y91 2.61x60 TM2 Van der Waals
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide Y91 2.61x60 TM2 polar (hydrogen bond)
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide Y94 2.64x63 TM2 polar (hydrogen bond)
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide Y94 2.64x63 TM2 Van der Waals
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide W110 3.28x28 TM3 hydrophobic
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide W110 3.28x28 TM3 Van der Waals
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide D114 3.32x32 TM3 polar (charge-assisted hydrogen bond)
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide Y115 3.33x33 TM3 polar (hydrogen bond)
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide Y115 3.33x33 TM3 Van der Waals
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide C118 3.36x36 TM3 Van der Waals
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide C188 45.50x50 ECL2 polar (hydrogen bond with backbone)
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide C188 45.50x50 ECL2 Van der Waals
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide Y189 45.51x51 ECL2 Van der Waals
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide Y189 45.51x51 ECL2 hydrophobic
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide F193 ECL2 Van der Waals
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide F193 ECL2 aromatic (face-to-edge)
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide Y374 6.51x51 TM6 polar (hydrogen bond)
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide Y374 6.51x51 TM6 Van der Waals
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide E395 7.36x35 TM7 Van der Waals
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide F398 7.39x38 TM7 hydrophobic
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide F398 7.39x38 TM7 Van der Waals
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide L401 7.42x41 TM7 hydrophobic

Ligands

N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide

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Residue Diagrams

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
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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
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Residue Table


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