Structure information

TSH receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

7XW5

SPECIES

Homo sapiens

RESOLUTION

2.960

PREFERRED CHAIN

R

REFERENCE

10.1038/S41586-022-05173-3

PUBLICATION DATE

Aug. 24, 2022

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Ligand Interaction Browser

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Ligand Amino Acid Generic Number Segment Interaction Type
Ligand Amino Acid Generic Number Segment Interaction Type
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide F405 N-term hydrophobic
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide L570 45.51x51 ECL2 hydrophobic
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide P571 45.52x52 ECL2 Van der Waals
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide P571 45.52x52 ECL2 polar (hydrogen bond with backbone)
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide M572 ECL2 Van der Waals
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide M572 ECL2 hydrophobic
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide I583 5.40x40 TM5 Van der Waals
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide I583 5.40x40 TM5 hydrophobic
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide V586 5.43x43 TM5 Van der Waals
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide L587 5.44x44 TM5 Van der Waals
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide L587 5.44x44 TM5 hydrophobic
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide I640 6.51x51 TM6 hydrophobic
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide I640 6.51x51 TM6 Van der Waals
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide Y643 6.54x54 TM6 hydrophobic
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide Y643 6.54x54 TM6 Van der Waals
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide A644 6.55x55 TM6 hydrophobic
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide A644 6.55x55 TM6 Van der Waals
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide A647 6.58x58 TM6 Van der Waals
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide A647 6.58x58 TM6 hydrophobic
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide I648 6.59x59 TM6 Van der Waals
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide I648 6.59x59 TM6 hydrophobic
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide P652 ECL3 Van der Waals
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide I654 ECL3 Van der Waals
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide I654 ECL3 hydrophobic
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide V656 7.31x30 TM7 Van der Waals
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide S659 7.34x33 TM7 Van der Waals
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide L662 7.37x36 TM7 hydrophobic
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide L662 7.37x36 TM7 Van der Waals
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide L663 7.38x37 TM7 hydrophobic
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide L663 7.38x37 TM7 Van der Waals

Ligands

N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide

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Residue Diagrams

V N G L L A L L S V F W V V I R L F K Y 1 C N L A F A D F C M G M Y L L L I A S V 2 V T L T Y V S L E S A F V T F F G A T N 3 A C A I M V G G W V C C F L L A L L P L 4 Y C C C V I V F A V I N L T L V F V I Y 5 A V L I F T D F I C M A P I S F Y A L S 6 F P N A C S N L P Y F L V L L I K S N 7
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ICL1 H Y K L N ICL1ECL1 H S E Y Y N H A I D W Q T ECL1ICL2 A M R L D R K I ICL2ECL2 I S S Y A K V S I C L P M D T E ECL2ICL3 P Q Y N ICL3ECL3 K P L I T ECL3N-term M R P A D L L Q L V L L L D L P R D L G G M G C S S P P C E C H Q E E D F R V T C K D I Q R I P S L P P S T Q T L K L I E T H L R T I P S H A F S N L P N I S R I Y V S I D V T L Q Q L E S H S F Y N L S K V T H I E I R N T R N L T Y I D P D A L K E L P L L K F L G I F N T G L K M F P D L T K V Y S T D I F F I L E I T D N P Y M T S I P V N A F Q G L C N E T L T L K L Y N N G F T S V Q G Y A F N G T K L D A V Y L N K N K Y L T V I D K D A F G G V Y S G P S L L D V S Q T S V T A L P S K G L E H L K E L I A R N T W T L K K L P L S L S F L H L T R A D L S Y P S H C C A F K N Q K K I R G I L E S L M C N E S S M Q S L R Q R K S V N A L N S P L H Q E Y E E N L G D S I V G Y K E K S K F Q D T H N N A H Y Y V F F E E Q E D E I I G F G Q E L K N P Q E E T L Q A F D S H Y D Y T I C G D S E D M V C T P K S D E F N P C E D I M G N-termC-term G I C K R Q A Q A Y R G Q R V P P K N S T D I Q V Q K V T H D M R Q G L H N M E D V Y E L I E N S H L T P K K Q G Q I S E E Y M Q T V L C-term Y K F L R I V V W F V S L L A L L G N V F V L L I L L T S V P R F L M C N L A F A D F C M G M Y L L L I A S V D L Y T G P G C N T A G F F T V F A S E L S V Y T L T V I T L E R W Y A I T F R L R H A C A I M V G G W V C C F L L A L L P L V G T P L A L A Y I V F V L T L N I V A F V I V C C C Y V K I Y I T V R N P G D K D T K I A K R M A V L I F T D F I C M A P I S F Y A L S A I L N V S N S K I L L V L F Y P L N S C A N P F L Y A I F T K A V F I F F Q R D L L S K
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Residue Table


GPCRdb(A)
GPCRdb(A)
TSH receptor
ECL2
45x51 45.51x51 L570
45x52 45.52x52 P571
TM5
5x40 5.40x40 I583
5x43 5.43x43 V586
5x44 5.44x44 L587
TM6
6x51 6.51x51 I640
6x54 6.54x54 Y643
6x55 6.55x55 A644
6x58 6.58x58 A647
6x59 6.59x59 I648
TM7
7x30 7.31x30 V656
7x33 7.34x33 S659
7x36 7.37x36 L662
7x37 7.38x37 L663