PDB
8TB7
Resolution
2.9 Å
Released
Oct. 4, 2023
Receptor
GPR61
Class
A
Species
Homo sapiens
Ligand
compound 1 [PMID: 37741852]
Function
Inverse agonist
Reference
10.1038/S41467-023-41646-3

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Ligand Amino Acid Generic Number Segment Interaction Type
compound 1 [PMID: 37741852] N146 3.47x47 TM3 polar (hydrogen bond with backbone)
compound 1 [PMID: 37741852] N146 3.47x47 TM3 polar (hydrogen bond)
compound 1 [PMID: 37741852] N146 3.47x47 TM3 polar (hydrogen bond)
compound 1 [PMID: 37741852] N146 3.47x47 TM3 polar (hydrogen bond)
compound 1 [PMID: 37741852] R149 3.50x50 TM3 polar (charge-assisted hydrogen bond)
compound 1 [PMID: 37741852] I233 5.54x54 TM5 polar (hydrogen bond with backbone)
compound 1 [PMID: 37741852] I233 5.54x54 TM5 polar (hydrogen bond)
compound 1 [PMID: 37741852] V236 ICL3 polar (hydrogen bond)
compound 1 [PMID: 37741852] Y237 ICL3 polar (hydrogen bond)
compound 1 [PMID: 37741852] M240 ICL3 polar (hydrogen bond)
compound 1 [PMID: 37741852] A366 6.33x33 TM6 Van der Waals
compound 1 [PMID: 37741852] V368 6.35x35 TM6 Van der Waals
compound 1 [PMID: 37741852] V369 6.36x36 TM6 polar (hydrogen bond)
compound 1 [PMID: 37741852] V369 6.36x36 TM6 polar (hydrogen bond with backbone)
compound 1 [PMID: 37741852] L370 6.37x37 TM6 polar (hydrogen bond)
compound 1 [PMID: 37741852] A372 6.39x39 TM6 hydrophobic
compound 1 [PMID: 37741852] A372 6.39x39 TM6 Van der Waals
compound 1 [PMID: 37741852] V373 6.40x40 TM6 polar (hydrogen bond)
compound 1 [PMID: 37741852] V373 6.40x40 TM6 polar (hydrogen bond with backbone)
compound 1 [PMID: 37741852] Q376 6.43x43 TM6 Van der Waals
compound 1 [PMID: 37741852] F421 7.52x52 TM7 Van der Waals
compound 1 [PMID: 37741852] F421 7.52x52 TM7 polar (hydrogen bond with backbone)
compound 1 [PMID: 37741852] Y422 7.53x53 TM7 hydrophobic
compound 1 [PMID: 37741852] Y422 7.53x53 TM7 Van der Waals
compound 1 [PMID: 37741852] L425 ICL4 polar (hydrogen bond)
compound 1 [PMID: 37741852] L425 ICL4 polar (hydrogen bond with backbone)
compound 1 [PMID: 37741852] N426 8.47x47 H8 polar (hydrogen bond)
compound 1 [PMID: 37741852] N426 8.47x47 H8 polar (hydrogen bond)
compound 1 [PMID: 37741852] R427 8.48x48 H8 polar (charge-assisted hydrogen bond)
compound 1 [PMID: 37741852] R427 8.48x48 H8 polar (hydrogen bond with backbone)

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

GPCRdb(A)
GPCRdb(A)
GPR61
TM3
3x47 3.47x47 N137
3x50 3.50x50 R140
TM5
5x54 5.54x54 I224
TM6
6x33 6.33x33 A285
6x35 6.35x35 V287
6x36 6.36x36 V288
6x37 6.37x37 L289
6x39 6.39x39 A291
6x40 6.40x40 V292
6x43 6.43x43 Q295
TM7
7x52 7.52x52 F340
7x53 7.53x53 Y341
H8
8x47 8.47x47 N345
8x48 8.48x48 R346