PDB
6IIV
Resolution
3.0 Å
Released
Dec. 19, 2018
Receptor
TP
Class
A
Species
Homo sapiens
Ligand
Function
daltroban
Antagonist
Reference
10.1038/S41589-018-0170-9

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Ligand Amino Acid Generic Number Segment Interaction Type
daltroban G77 2.53x53 TM2 Van der Waals
daltroban L78 2.54x54 TM2 Van der Waals
daltroban T81 2.57x57 TM2 polar (hydrogen bond)
daltroban V85 2.61x61 TM2 hydrophobic
daltroban H89 2.65x65 TM2 polar (hydrogen bond)
daltroban M108 3.28x28 TM3 Van der Waals
daltroban M112 3.32x32 TM3 hydrophobic
daltroban F115 3.35x35 TM3 hydrophobic
daltroban G116 3.36x36 TM3 Van der Waals
daltroban S181 ECL2 polar (hydrogen bond)
daltroban W182 ECL2 hydrophobic
daltroban W182 ECL2 aromatic (edge-to-face)
daltroban F184 45.51x51 ECL2 hydrophobic
daltroban F200 5.43x43 TM5 Van der Waals
daltroban W258 6.48x48 TM6 hydrophobic
daltroban W258 6.48x48 TM6 aromatic (edge-to-face)
daltroban L261 6.51x51 TM6 Van der Waals
daltroban L291 7.36x35 TM7 hydrophobic
daltroban L294 7.39x38 TM7 hydrophobic
daltroban R295 7.40x39 TM7 polar (charge-charge)
daltroban A297 7.42x41 TM7 Van der Waals
daltroban T298 7.43x42 TM7 Van der Waals
daltroban Q301 7.46x46 TM7 polar (hydrogen bond)

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

GPCRdb(A)
GPCRdb(A)
TP receptor
TM2
2x53 2.53x53 G77
2x54 2.54x54 L78
2x57 2.57x57 T81
2x61 2.61x61 V85
2x65 2.65x65 H89
TM3
3x28 3.28x28 M108
3x32 3.32x32 M112
3x35 3.35x35 F115
3x36 3.36x36 G116
ECL2
45x51 45.51x51 F184
TM5
5x43 5.43x43 F200
TM6
6x48 6.48x48 W258
6x51 6.51x51 L261
TM7
7x35 7.36x35 L291
7x38 7.39x38 L294
7x39 7.40x39 R295
7x41 7.42x41 A297
7x42 7.43x42 T298
7x46 7.46x46 Q301