PDB
5ZKQ
Resolution
2.9 Å
Released
June 20, 2018
Receptor
PAF
Class
A
Species
Homo sapiens
Ligand
ABT-491
Function
Inverse agonist
Reference
10.1038/S41594-018-0068-Y

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Ligand Amino Acid Generic Number Segment Interaction Type
ABT-491 Y22 1.39x39 TM1 Van der Waals
ABT-491 Y22 1.39x39 TM1 polar (hydrogen bond)
ABT-491 W73 2.60x60 TM2 Van der Waals
ABT-491 W73 2.60x60 TM2 aromatic (face-to-face)
ABT-491 Y77 2.64x64 TM2 Van der Waals
ABT-491 Y77 2.64x64 TM2 polar (hydrogen bond)
ABT-491 G94 3.29x29 TM3 Van der Waals
ABT-491 F97 3.32x32 TM3 Van der Waals
ABT-491 F97 3.32x32 TM3 aromatic (face-to-edge)
ABT-491 F98 3.33x33 TM3 hydrophobic
ABT-491 F98 3.33x33 TM3 Van der Waals
ABT-491 Y102 3.37x37 TM3 Van der Waals
ABT-491 F152 4.60x60 TM4 Van der Waals
ABT-491 F152 4.60x60 TM4 aromatic (edge-to-face)
ABT-491 C173 45.50x50 ECL2 Van der Waals
ABT-491 F174 45.51x51 ECL2 hydrophobic
ABT-491 F174 45.51x51 ECL2 Van der Waals
ABT-491 E175 45.52x52 ECL2 Van der Waals
ABT-491 Y177 ECL2 hydrophobic
ABT-491 Y177 ECL2 Van der Waals
ABT-491 H188 5.40x40 TM5 Van der Waals
ABT-491 H188 5.40x40 TM5 polar (hydrogen bond)
ABT-491 I191 5.43x43 TM5 Van der Waals
ABT-491 Q252 6.55x55 TM6 polar (hydrogen bond)
ABT-491 Q252 6.55x55 TM6 Van der Waals
ABT-491 L279 7.39x38 TM7 Van der Waals
ABT-491 L279 7.39x38 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
PAF receptor
TM1
1x39 1.39x39 Y22
TM2
2x60 2.60x60 W73
2x64 2.64x64 Y77
TM3
3x29 3.29x29 G94
3x32 3.32x32 F97
3x33 3.33x33 F98
3x37 3.37x37 Y102
TM4
4x60 4.60x60 F152
ECL2
45x50 45.50x50 C173
45x51 45.51x51 F174
45x52 45.52x52 E175
TM5
5x40 5.40x40 H188
5x43 5.43x43 I191
TM6
6x55 6.55x55 Q252
TM7
7x38 7.39x38 L279