PDB
8IHH
Resolution
3.1 Å
Released
Aug. 30, 2023
Receptor
HCA2
Class
A
Species
Homo sapiens
Ligand
5-butyl-1H-pyrazole-3-carboxylic acid
Function
Agonist (partial)
Reference
10.1038/S41467-023-41650-7

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Ligand Amino Acid Generic Number Segment Interaction Type
5-butyl-1H-pyrazole-3-carboxylic acid L83 2.60x60 TM2 hydrophobic
5-butyl-1H-pyrazole-3-carboxylic acid Y87 2.64x64 TM2 hydrophobic
5-butyl-1H-pyrazole-3-carboxylic acid W91 ECL1 hydrophobic
5-butyl-1H-pyrazole-3-carboxylic acid L107 3.32x32 TM3 hydrophobic
5-butyl-1H-pyrazole-3-carboxylic acid R111 3.36x36 TM3 polar (charge-assisted hydrogen bond)
5-butyl-1H-pyrazole-3-carboxylic acid C177 45.50x50 ECL2 Van der Waals
5-butyl-1H-pyrazole-3-carboxylic acid S178 45.51x51 ECL2 Van der Waals
5-butyl-1H-pyrazole-3-carboxylic acid S179 45.52x52 ECL2 polar (hydrogen bond)
5-butyl-1H-pyrazole-3-carboxylic acid F180 ECL2 Van der Waals
5-butyl-1H-pyrazole-3-carboxylic acid F180 ECL2 hydrophobic
5-butyl-1H-pyrazole-3-carboxylic acid F277 7.36x35 TM7 hydrophobic
5-butyl-1H-pyrazole-3-carboxylic acid F277 7.36x35 TM7 Van der Waals
5-butyl-1H-pyrazole-3-carboxylic acid L280 7.39x38 TM7 Van der Waals
5-butyl-1H-pyrazole-3-carboxylic acid L280 7.39x38 TM7 hydrophobic
5-butyl-1H-pyrazole-3-carboxylic acid Y284 7.43x42 TM7 polar (hydrogen bond)

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

GPCRdb(A)
GPCRdb(A)
HCA2 receptor
TM2
2x60 2.60x60 L83
2x64 2.64x64 Y87
TM3
3x32 3.32x32 L107
3x36 3.36x36 R111
ECL2
45x50 45.50x50 C177
45x51 45.51x51 S178
45x52 45.52x52 S179
TM7
7x35 7.36x35 F277
7x38 7.39x38 L280
7x42 7.43x42 Y284