PDB
6TPK
Resolution
3.2 Å
Released
Aug. 5, 2020
Receptor
OT
Class
A
Species
Homo sapiens
Ligands
retosiban
Cholesterol
Function
Antagonist
PAM
Reference
10.1126/SCIADV.ABB5419
retosiban Cholesterol

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Ligand Amino Acid Generic Number Segment Interaction Type
retosiban K116 3.29x29 TM3 polar (charge-assisted hydrogen bond)
retosiban Q119 3.32x32 TM3 polar (hydrogen bond)
retosiban M123 3.36x36 TM3 hydrophobic
retosiban M123 3.36x36 TM3 Van der Waals
retosiban Q171 4.60x61 TM4 Van der Waals
retosiban Q171 4.60x61 TM4 polar (hydrogen bond)
retosiban F175 4.64x65 TM4 Van der Waals
Cholesterol F191 ECL2 hydrophobic
Cholesterol I192 ECL2 polar (hydrogen bond with backbone)
Cholesterol I192 ECL2 Van der Waals
Cholesterol G196 5.34x35 TM5 Van der Waals
Cholesterol A199 5.37x38 TM5 hydrophobic
Cholesterol A199 5.37x38 TM5 Van der Waals
Cholesterol Y200 5.38x39 TM5 Van der Waals
Cholesterol Y200 5.38x39 TM5 hydrophobic
retosiban I201 5.39x40 TM5 hydrophobic
retosiban I201 5.39x40 TM5 Van der Waals
Cholesterol W203 5.41x42 TM5 Van der Waals
Cholesterol W203 5.41x42 TM5 hydrophobic
retosiban I204 5.42x43 TM5 Van der Waals
retosiban W288 6.48x48 TM6 hydrophobic
retosiban W288 6.48x48 TM6 Van der Waals
retosiban F291 6.51x51 TM6 hydrophobic
retosiban F291 6.51x51 TM6 Van der Waals
retosiban Q295 6.55x55 TM6 Van der Waals
retosiban Q295 6.55x55 TM6 polar (hydrogen bond)
retosiban F311 7.35x34 TM7 Van der Waals
retosiban A318 7.42x41 TM7 hydrophobic
retosiban A318 7.42x41 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
OT receptor
TM3
3x29 3.29x29 K116
3x32 3.32x32 Q119
3x36 3.36x36 M123
TM4
4x61 4.60x61 Q171
4x65 4.64x65 F175
TM5
5x35 5.34x35 G196
5x38 5.37x38 A199
5x39 5.38x39 Y200
5x40 5.39x40 I201
5x42 5.41x42 W203
5x43 5.42x43 I204
TM6
6x48 6.48x48 W288
6x51 6.51x51 F291
6x55 6.55x55 Q295
TM7
7x34 7.35x34 F311
7x41 7.42x41 A318