Structure information

TSH receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

7XW6

SPECIES

Homo sapiens

RESOLUTION

2.780

PREFERRED CHAIN

R

REFERENCE

10.1038/S41586-022-05173-3

PUBLICATION DATE

Aug. 17, 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 S505 3.36x36 TM3 polar (hydrogen bond)
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide E506 3.37x37 TM3 polar (charge-assisted hydrogen bond)
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide L570 45.51x51 ECL2 polar (hydrogen bond)
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)
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide M572 ECL2 polar (hydrogen bond)
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide M572 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 T574 ECL2 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 polar (hydrogen bond)
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide V586 5.43x43 TM5 polar (hydrogen bond)
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide L587 5.44x44 TM5 polar (hydrogen bond)
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide I640 6.51x51 TM6 polar (hydrogen bond)
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide Y643 6.54x54 TM6 polar (hydrogen bond)
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide A644 6.55x55 TM6 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 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 hydrophobic
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 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 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 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 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 T655 ECL3 polar (hydrogen bond)
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide V656 ECL3 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 V656 ECL3 polar (hydrogen bond)
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide S659 7.34x33 TM7 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 S659 7.34x33 TM7 polar (hydrogen bond)
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide L662 7.37x36 TM7 polar (hydrogen bond)
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide L663 7.38x37 TM7 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 L663 7.38x37 TM7 Van der Waals
N-[4-[[5-[(2S)-3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide Y667 7.42x41 TM7 polar (hydrogen bond)

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
TM3
3x36 3.36x36 S505
3x37 3.37x37 E506
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
7x33 7.34x33 S659
7x36 7.37x36 L662
7x37 7.38x37 L663
7x41 7.42x41 Y667