PDB
6LI0
Resolution
2.2 Å
Released
Feb. 26, 2020
Receptor
GPR52
Class
A
Species
Homo sapiens
Ligand
derivative 17 [Nakahata et al., 2018]
Function
Allosteric agonist
Reference
10.1038/S41586-020-2019-0

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Ligand Amino Acid Generic Number Segment Interaction Type
derivative 17 [Nakahata et al., 2018] P28 N-term hydrophobic
derivative 17 [Nakahata et al., 2018] Y34 N-term hydrophobic
derivative 17 [Nakahata et al., 2018] V39 N-term hydrophobic
derivative 17 [Nakahata et al., 2018] C40 1.32x32 TM1 polar (hydrogen bond with backbone)
derivative 17 [Nakahata et al., 2018] C40 1.32x32 TM1 Van der Waals
derivative 17 [Nakahata et al., 2018] E43 1.35x35 TM1 Van der Waals
derivative 17 [Nakahata et al., 2018] I47 1.39x39 TM1 Van der Waals
derivative 17 [Nakahata et al., 2018] I47 1.39x39 TM1 hydrophobic
derivative 17 [Nakahata et al., 2018] C94 2.57x57 TM2 polar (hydrogen bond)
derivative 17 [Nakahata et al., 2018] L101 2.64x64 TM2 Van der Waals
derivative 17 [Nakahata et al., 2018] F117 3.28x28 TM3 Van der Waals
derivative 17 [Nakahata et al., 2018] Y185 ECL2 Van der Waals
derivative 17 [Nakahata et al., 2018] H186 ECL2 polar (hydrogen bond with backbone)
derivative 17 [Nakahata et al., 2018] H186 ECL2 Van der Waals
derivative 17 [Nakahata et al., 2018] D188 ECL2 Van der Waals
derivative 17 [Nakahata et al., 2018] D188 ECL2 polar (hydrogen bond with backbone)
derivative 17 [Nakahata et al., 2018] I189 ECL2 Van der Waals
derivative 17 [Nakahata et al., 2018] I189 ECL2 polar (hydrogen bond with backbone)
derivative 17 [Nakahata et al., 2018] F190 ECL2 Van der Waals
derivative 17 [Nakahata et al., 2018] E191 ECL2 Van der Waals
derivative 17 [Nakahata et al., 2018] E191 ECL2 polar (hydrogen bond with backbone)
derivative 17 [Nakahata et al., 2018] P296 7.32x31 TM7 Van der Waals
derivative 17 [Nakahata et al., 2018] P296 7.32x31 TM7 hydrophobic
derivative 17 [Nakahata et al., 2018] S299 7.35x34 TM7 Van der Waals
derivative 17 [Nakahata et al., 2018] F300 7.36x35 TM7 Van der Waals
derivative 17 [Nakahata et al., 2018] F300 7.36x35 TM7 aromatic (edge-to-face)
derivative 17 [Nakahata et al., 2018] T303 7.39x38 TM7 Van der Waals
derivative 17 [Nakahata et al., 2018] W304 7.40x39 TM7 Van der Waals
derivative 17 [Nakahata et al., 2018] W304 7.40x39 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
GPR52
TM1
1x32 1.32x32 C40
1x35 1.35x35 E43
1x39 1.39x39 I47
TM2
2x57 2.57x57 C94
2x64 2.64x64 L101
TM3
3x28 3.28x28 F117
TM7
7x31 7.32x31 P296
7x34 7.35x34 S299
7x35 7.36x35 F300
7x38 7.39x38 T303
7x39 7.40x39 W304