PDB
8J6Q
Resolution
2.6 Å
Released
Dec. 6, 2023
Receptor
HCA2
Class
A
Species
Homo sapiens
Ligands
β-D-hydroxybutyric acid
compound 9n [PMID: 18752940]
Function
Agonist
Ago-PAM
Reference
10.1038/S41467-023-43537-Z
β-D-hydroxybutyric acid compound 9n [PMID: 18752940]

NGL is a WebGL based 3D viewer powered by MMTF.

Download PDB file
Download list in excel
Ligand Amino Acid Generic Number Segment Interaction Type
β-D-hydroxybutyric acid W91 ECL1 Van der Waals
β-D-hydroxybutyric acid L107 3.32x32 TM3 hydrophobic
β-D-hydroxybutyric acid R111 3.36x36 TM3 polar (charge-assisted hydrogen bond)
β-D-hydroxybutyric acid S178 45.51x51 ECL2 Van der Waals
β-D-hydroxybutyric acid S179 45.52x52 ECL2 polar (hydrogen bond with backbone)
β-D-hydroxybutyric acid S179 45.52x52 ECL2 polar (hydrogen bond)
β-D-hydroxybutyric acid S179 45.52x52 ECL2 Van der Waals
β-D-hydroxybutyric acid F180 ECL2 hydrophobic
β-D-hydroxybutyric acid F180 ECL2 Van der Waals
compound 9n [PMID: 18752940] F186 ECL2 hydrophobic
compound 9n [PMID: 18752940] Q187 ECL2 polar (hydrogen bond with backbone)
compound 9n [PMID: 18752940] Q187 ECL2 Van der Waals
compound 9n [PMID: 18752940] E190 5.40x41 TM5 Van der Waals
compound 9n [PMID: 18752940] A191 5.41x42 TM5 hydrophobic
compound 9n [PMID: 18752940] A191 5.41x42 TM5 Van der Waals
compound 9n [PMID: 18752940] L194 5.44x45 TM5 Van der Waals
compound 9n [PMID: 18752940] L194 5.44x45 TM5 hydrophobic
compound 9n [PMID: 18752940] L195 5.45x46 TM5 Van der Waals
compound 9n [PMID: 18752940] L195 5.45x46 TM5 hydrophobic
compound 9n [PMID: 18752940] F255 6.59x59 TM6 Van der Waals
compound 9n [PMID: 18752940] F255 6.59x59 TM6 aromatic (face-to-face)
compound 9n [PMID: 18752940] L258 6.62x62 TM6 Van der Waals
compound 9n [PMID: 18752940] L258 6.62x62 TM6 hydrophobic
β-D-hydroxybutyric acid L280 7.39x38 TM7 hydrophobic
β-D-hydroxybutyric acid L280 7.39x38 TM7 Van der Waals
β-D-hydroxybutyric acid Y284 7.43x42 TM7 Van der Waals
β-D-hydroxybutyric acid Y284 7.43x42 TM7 polar (hydrogen bond)

NGL is a WebGL based 3D viewer powered by MMTF.

Download PDB file

NGL is a WebGL based 3D viewer powered by MMTF.

Download PDB file

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
3x32 3.32x32 L107
3x36 3.36x36 R111
ECL2
45x51 45.51x51 S178
45x52 45.52x52 S179
TM5
5x41 5.40x41 E190
5x42 5.41x42 A191
5x45 5.44x45 L194
5x46 5.45x46 L195
TM6
6x59 6.59x59 F255
6x62 6.62x62 L258
TM7
7x38 7.39x38 L280
7x42 7.43x42 Y284