PDB
6RZ4
Resolution
2.7 Å
Released
Oct. 30, 2019
Receptor
CysLT1
Class
A
Species
Homo sapiens
Ligands
Na+
pranlukast
Function
NAM
Antagonist
Reference
10.1126/SCIADV.AAX2518
Na+ pranlukast

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Ligand Amino Acid Generic Number Segment Interaction Type
Na+ D69 2.50x50 TM2 polar (charge-charge)
pranlukast Y104 3.33x33 TM3 polar (hydrogen bond)
pranlukast Y104 3.33x33 TM3 polar (hydrogen bond)
pranlukast Y104 3.33x33 TM3 aromatic (face-to-edge)
pranlukast Y108 3.37x37 TM3 aromatic (face-to-edge)
pranlukast Y108 3.37x37 TM3 Van der Waals
Na+ S110 3.39x39 TM3 polar (charge-assisted hydrogen bond)
pranlukast F150 4.52x52 TM4 Van der Waals
pranlukast F150 4.52x52 TM4 aromatic (edge-to-face)
pranlukast T154 4.56x56 TM4 Van der Waals
pranlukast S155 4.57x57 TM4 Van der Waals
pranlukast F158 4.60x61 TM4 hydrophobic
pranlukast F158 4.60x61 TM4 Van der Waals
pranlukast F174 45.51x51 ECL2 Van der Waals
pranlukast P176 ECL2 Van der Waals
pranlukast P176 ECL2 hydrophobic
pranlukast V186 5.35x36 TM5 Van der Waals
pranlukast L189 5.38x39 TM5 hydrophobic
pranlukast L189 5.38x39 TM5 Van der Waals
pranlukast H190 5.39x40 TM5 Van der Waals
pranlukast V192 5.41x42 TM5 hydrophobic
pranlukast V192 5.41x42 TM5 Van der Waals
pranlukast S193 5.42x43 TM5 Van der Waals
pranlukast G197 5.46x461 TM5 Van der Waals
pranlukast Y249 6.51x51 TM6 Van der Waals
pranlukast R253 6.55x55 TM6 Van der Waals
pranlukast H256 6.58x58 TM6 Van der Waals
pranlukast H256 6.58x58 TM6 aromatic (face-to-edge)
pranlukast L257 6.59x59 TM6 hydrophobic
pranlukast L257 6.59x59 TM6 Van der Waals
pranlukast L281 7.39x38 TM7 Van der Waals
Na+ N287 7.45x45 TM7 polar (hydrogen bond with backbone)
Na+ N287 7.45x45 TM7 polar (charge-assisted hydrogen bond)
Na+ C288 7.46x46 TM7 Van der Waals
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
TM4
4x52 4.52x52 F150
4x56 4.56x56 T154
4x57 4.57x57 S155
4x61 4.60x61 F158
ECL2
45x51 45.51x51 F174
TM5
5x36 5.35x36 V186
5x39 5.38x39 L189
5x40 5.39x40 H190
5x42 5.41x42 V192
5x43 5.42x43 S193
5x461 5.46x461 G197
TM6
6x51 6.51x51 Y249
6x55 6.55x55 R253
6x58 6.58x58 H256
6x59 6.59x59 L257
TM7
7x38 7.39x38 L281
7x45 7.45x45 N287
7x46 7.46x46 C288
7x49 7.49x49 D291