Structure information

A1 receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

7LD3

SPECIES

Homo sapiens

RESOLUTION

3.200

PREFERRED CHAIN

R

PUBLICATION DATE

Sept. 8, 2021

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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
{2-Amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone I19 1.42x42 TM1 hydrophobic
adenosine V87 3.32x32 TM3 hydrophobic
adenosine F171 45.52x52 ECL2 aromatic (face-to-face)
adenosine E172 ECL2 polar (charge-assisted hydrogen bond)
adenosine E172 ECL2 polar (charge-assisted hydrogen bond)
{2-Amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone S246 6.47x47 TM6 polar (hydrogen bond)
adenosine L250 6.51x51 TM6 hydrophobic
adenosine N254 6.55x55 TM6 polar (hydrogen bond)
adenosine N254 6.55x55 TM6 polar (hydrogen bond)
adenosine N254 6.55x55 TM6 polar (hydrogen bond)
{2-Amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone F275 7.40x39 TM7 polar (hydrogen bond with backbone)
{2-Amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone L276 7.41x40 TM7 polar (hydrogen bond with backbone)
adenosine H278 7.43x42 TM7 polar (hydrogen bond)
{2-Amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone G279 7.44x43 TM7 polar (hydrogen bond with backbone)
{2-Amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone N280 7.45x45 TM7 polar (hydrogen bond with backbone)
{2-Amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone M283 7.48x48 TM7 polar (hydrogen bond)

Ligands

{2-Amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone

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adenosine

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Residue Diagrams

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


GPCRdb(A)
GPCRdb(A)
A1 receptor
TM1
1x42 1.42x42 I19
TM3
3x32 3.32x32 V87
ECL2
45x52 45.52x52 F171
TM6
6x47 6.47x47 S246
6x51 6.51x51 L250
6x55 6.55x55 N254
TM7
7x39 7.40x39 F275
7x40 7.41x40 L276
7x42 7.43x42 H278
7x43 7.44x43 G279
7x45 7.45x45 N280
7x48 7.48x48 M283