PDB
8JEI
Resolution
2.7 Å
Released
Nov. 20, 2024
Receptor
HCA3
Class
A
Species
Homo sapiens
Ligand
4-(n-propyl)amino-3-nitrobenzoic acid
Function
Agonist
Reference
10.1016/J.CELREP.2024.114895

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Ligand Amino Acid Generic Number Segment Interaction Type
4-(n-propyl)amino-3-nitrobenzoic acid V83 2.60x60 TM2 hydrophobic
4-(n-propyl)amino-3-nitrobenzoic acid Y86 2.63x63 TM2 hydrophobic
4-(n-propyl)amino-3-nitrobenzoic acid Y87 2.64x64 TM2 polar (hydrogen bond)
4-(n-propyl)amino-3-nitrobenzoic acid L104 3.29x29 TM3 Van der Waals
4-(n-propyl)amino-3-nitrobenzoic acid F107 3.32x32 TM3 Van der Waals
4-(n-propyl)amino-3-nitrobenzoic acid F107 3.32x32 TM3 hydrophobic
4-(n-propyl)amino-3-nitrobenzoic acid R111 3.36x36 TM3 polar (charge-assisted hydrogen bond)
4-(n-propyl)amino-3-nitrobenzoic acid I178 45.51x51 ECL2 Van der Waals
4-(n-propyl)amino-3-nitrobenzoic acid S179 45.52x52 ECL2 polar (hydrogen bond)
4-(n-propyl)amino-3-nitrobenzoic acid S179 45.52x52 ECL2 polar (hydrogen bond with backbone)
4-(n-propyl)amino-3-nitrobenzoic acid F180 ECL2 hydrophobic
4-(n-propyl)amino-3-nitrobenzoic acid F180 ECL2 Van der Waals
4-(n-propyl)amino-3-nitrobenzoic acid L280 7.39x38 TM7 Van der Waals
4-(n-propyl)amino-3-nitrobenzoic acid Y284 7.43x42 TM7 polar (hydrogen bond)
4-(n-propyl)amino-3-nitrobenzoic acid Y284 7.43x42 TM7 Van der Waals

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ICL1 L K S W ICL1ECL1 R S D W K F ECL1ICL2 P H H A L N K I ICL2ECL2 L L I Q N G T A N V C I S F S I C H T F ECL2ICL3 Q M D R H A ICL3ECL3 G T Q N C E ECL3N-term M N R H H L Q D H F L E I D K K N C C V F R N-termC-term R C L Q R K I 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 I A N S G E P W S P S Y L G P T S N N H S K K G H C H Q E P A S L E K Q L G C C I E C-term D D F I A 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 V M D Y Y V R G D I P C R L V L F M F 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 W T A A I I S C L L W G I T V G L T V H L L K K K R 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 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 H I F W L L H T S V 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 F P N F L I N
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 A 1 F N L A V A D F L L I I C L P F V M D Y 2 V T L F I I S G Q R N M A F M F L V L R 3 A A I I S C L L W G I T V 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 H 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)
HCA3 receptor
TM2
2x60 2.60x60 V83
2x63 2.63x63 Y86
2x64 2.64x64 Y87
TM3
3x29 3.29x29 L104
3x32 3.32x32 F107
3x36 3.36x36 R111
ECL2
45x51 45.51x51 I178
45x52 45.52x52 S179
TM7
7x38 7.39x38 L280
7x42 7.43x42 Y284