PDB
6RZ5
Resolution
2.5 Å
Released
Oct. 30, 2019
Receptor
CysLT1
Class
A
Species
Homo sapiens
Ligands
Na+
zafirlukast
Function
NAM
Antagonist
Reference
10.1126/SCIADV.AAX2518
Na+ zafirlukast

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Ligand Amino Acid Generic Number Segment Interaction Type
Na+ D69 2.50x50 TM2 polar (charge-charge)
zafirlukast Y104 3.33x33 TM3 aromatic (face-to-edge)
zafirlukast Y104 3.33x33 TM3 Van der Waals
zafirlukast Y104 3.33x33 TM3 polar (hydrogen bond)
zafirlukast Y108 3.37x37 TM3 hydrophobic
zafirlukast Y108 3.37x37 TM3 Van der Waals
Na+ S110 3.39x39 TM3 polar (charge-assisted hydrogen bond)
zafirlukast F112 3.41x41 TM3 Van der Waals
zafirlukast F112 3.41x41 TM3 hydrophobic
zafirlukast F150 4.52x52 TM4 hydrophobic
zafirlukast F150 4.52x52 TM4 Van der Waals
zafirlukast V151 4.53x53 TM4 hydrophobic
zafirlukast T154 4.56x56 TM4 Van der Waals
zafirlukast T154 4.56x56 TM4 polar (hydrogen bond with backbone)
zafirlukast S155 4.57x57 TM4 Van der Waals
zafirlukast P157 4.59x60 TM4 Van der Waals
zafirlukast P157 4.59x60 TM4 hydrophobic
zafirlukast F158 4.60x61 TM4 aromatic (edge-to-face)
zafirlukast F158 4.60x61 TM4 Van der Waals
zafirlukast P177 ECL2 Van der Waals
zafirlukast V186 5.35x36 TM5 Van der Waals
zafirlukast L189 5.38x39 TM5 hydrophobic
zafirlukast L189 5.38x39 TM5 Van der Waals
zafirlukast H190 5.39x40 TM5 Van der Waals
zafirlukast S193 5.42x43 TM5 polar (hydrogen bond)
zafirlukast S193 5.42x43 TM5 Van der Waals
zafirlukast Y249 6.51x51 TM6 aromatic (edge-to-face)
zafirlukast Y249 6.51x51 TM6 polar (hydrogen bond)
zafirlukast Y249 6.51x51 TM6 Van der Waals
zafirlukast Q252 6.54x54 TM6 Van der Waals
zafirlukast R253 6.55x55 TM6 polar (charge-assisted hydrogen bond)
zafirlukast H256 6.58x58 TM6 Van der Waals
zafirlukast V277 7.35x34 TM7 Van der Waals
zafirlukast V277 7.35x34 TM7 hydrophobic
zafirlukast T280 7.38x37 TM7 Van der Waals
zafirlukast L281 7.39x38 TM7 hydrophobic
Na+ N287 7.45x45 TM7 polar (charge-assisted hydrogen bond)
Na+ D291 7.49x49 TM7 polar (charge-charge)

Na+

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

GPCRdb(A)
GPCRdb(A)
CysLT1 receptor
TM2
2x50 2.50x50 D69
TM3
3x33 3.33x33 Y104
3x37 3.37x37 Y108
3x39 3.39x39 S110
3x41 3.41x41 F112
TM4
4x52 4.52x52 F150
4x53 4.53x53 V151
4x56 4.56x56 T154
4x57 4.57x57 S155
4x60 4.59x60 P157
4x61 4.60x61 F158
TM5
5x36 5.35x36 V186
5x39 5.38x39 L189
5x40 5.39x40 H190
5x43 5.42x43 S193
TM6
6x51 6.51x51 Y249
6x54 6.54x54 Q252
6x55 6.55x55 R253
6x58 6.58x58 H256
TM7
7x34 7.35x34 V277
7x37 7.38x37 T280
7x38 7.39x38 L281
7x45 7.45x45 N287
7x49 7.49x49 D291