PDB
8JER
Resolution
3.5 Å
Released
March 6, 2024
Receptor
HCA2
Class
A
Species
Homo sapiens
Ligand
Acipimox
Function
Agonist
Reference
10.1038/S41467-024-46239-2

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Ligand Amino Acid Generic Number Segment Interaction Type
Acipimox L104 3.29x29 TM3 hydrophobic
Acipimox R111 3.36x36 TM3 polar (charge-assisted hydrogen bond)
Acipimox C177 45.50x50 ECL2 Van der Waals
Acipimox S178 45.51x51 ECL2 Van der Waals
Acipimox S179 45.52x52 ECL2 polar (hydrogen bond)
Acipimox S179 45.52x52 ECL2 polar (hydrogen bond with backbone)
Acipimox F180 ECL2 polar (hydrogen bond with backbone)
Acipimox F180 ECL2 Van der Waals
Acipimox F277 7.36x35 TM7 Van der Waals
Acipimox F277 7.36x35 TM7 hydrophobic
Acipimox L280 7.39x38 TM7 hydrophobic
Acipimox L280 7.39x38 TM7 Van der Waals
Acipimox Y284 7.43x42 TM7 polar (hydrogen bond)
Acipimox Y284 7.43x42 TM7 Van der Waals

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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
TM3
3x29 3.29x29 L104
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