PDB
9KT9
Resolution
2.7 Å
Released
Dec. 10, 2025
Receptor
HCA1
Class
A
Species
Homo sapiens
Ligand
3,5-dihydroxybenzoic acid
Function
Agonist
Reference
10.1021/ACS.JMEDCHEM.4C02567

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Ligand Amino Acid Generic Number Segment Interaction Type
3,5-dihydroxybenzoic acid R71 2.60x60 TM2 polar (charge-assisted hydrogen bond)
3,5-dihydroxybenzoic acid Y75 2.64x64 TM2 polar (hydrogen bond)
3,5-dihydroxybenzoic acid Y75 2.64x64 TM2 Van der Waals
3,5-dihydroxybenzoic acid L95 3.32x32 TM3 hydrophobic
3,5-dihydroxybenzoic acid L95 3.32x32 TM3 Van der Waals
3,5-dihydroxybenzoic acid E166 45.51x51 ECL2 Van der Waals
3,5-dihydroxybenzoic acid S167 45.52x52 ECL2 polar (hydrogen bond with backbone)
3,5-dihydroxybenzoic acid S167 45.52x52 ECL2 Van der Waals
3,5-dihydroxybenzoic acid F168 ECL2 polar (hydrogen bond with backbone)
3,5-dihydroxybenzoic acid F168 ECL2 Van der Waals
3,5-dihydroxybenzoic acid L264 7.39x38 TM7 Van der Waals
3,5-dihydroxybenzoic acid L264 7.39x38 TM7 hydrophobic
3,5-dihydroxybenzoic acid Y268 7.43x42 TM7 Van der Waals
3,5-dihydroxybenzoic acid Y268 7.43x42 TM7 polar (hydrogen bond)

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

GPCRdb(A)
GPCRdb(A)
HCA1 receptor
TM2
2x60 2.60x60 R71
2x64 2.64x64 Y75
TM3
3x32 3.32x32 L95
ECL2
45x51 45.51x51 E166
45x52 45.52x52 S167
TM7
7x38 7.39x38 L264
7x42 7.43x42 Y268