PDB
8JII
Resolution
3.2 Å
Released
Sept. 6, 2023
Receptor
HCA2
Class
A
Species
Homo sapiens
Ligands
nicotinic acid
compound 9n [PMID: 18752940]
Function
Agonist
Ago-PAM
Reference
10.1016/J.MOLCEL.2023.07.030
nicotinic acid compound 9n [PMID: 18752940]

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Ligand Amino Acid Generic Number Segment Interaction Type
nicotinic acid L83 2.60x60 TM2 hydrophobic
nicotinic acid R111 3.36x36 TM3 polar (charge-assisted hydrogen bond)
nicotinic acid S178 45.51x51 ECL2 polar (hydrogen bond)
nicotinic acid S178 45.51x51 ECL2 Van der Waals
nicotinic acid S179 45.52x52 ECL2 Van der Waals
nicotinic acid F180 ECL2 Van der Waals
nicotinic acid F180 ECL2 hydrophobic
compound 9n [PMID: 18752940] F186 ECL2 hydrophobic
compound 9n [PMID: 18752940] A191 5.41x42 TM5 hydrophobic
compound 9n [PMID: 18752940] L194 5.44x45 TM5 hydrophobic
compound 9n [PMID: 18752940] L195 5.45x46 TM5 hydrophobic
compound 9n [PMID: 18752940] F198 5.48x48 TM5 hydrophobic
compound 9n [PMID: 18752940] F255 6.59x59 TM6 aromatic (face-to-face)
compound 9n [PMID: 18752940] L258 6.62x62 TM6 hydrophobic
nicotinic acid F277 7.36x35 TM7 Van der Waals
nicotinic acid L280 7.39x38 TM7 Van der Waals
nicotinic acid Y284 7.43x42 TM7 Van der Waals
nicotinic 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
TM3
3x36 3.36x36 R111
ECL2
45x51 45.51x51 S178
45x52 45.52x52 S179
TM5
5x42 5.41x42 A191
5x45 5.44x45 L194
5x46 5.45x46 L195
5x48 5.48x48 F198
TM6
6x59 6.59x59 F255
6x62 6.62x62 L258
TM7
7x35 7.36x35 F277
7x38 7.39x38 L280
7x42 7.43x42 Y284