PDB
8PJK
Resolution
2.4 Å
Released
May 29, 2024
Receptor
5-HT1A
Class
A
Species
Homo sapiens
Ligands
Function
ST171
Agonist (partial)
Phosphatidylinositol-4-phosphate
PAM
Reference
—
ST171 Phosphatidylinositol-4-phosphate

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Ligand Amino Acid Generic Number Segment Interaction Type
ST171 A93 2.61x60 TM2 Van der Waals
ST171 Y96 2.64x63 TM2 hydrophobic
ST171 Q97 2.65x64 TM2 Van der Waals
ST171 F112 3.28x28 TM3 Van der Waals
ST171 D116 3.32x32 TM3 polar (hydrogen bond)
ST171 D116 3.32x32 TM3 polar (charge-charge)
ST171 V117 3.33x33 TM3 hydrophobic
ST171 C120 3.36x36 TM3 hydrophobic
ST171 T121 3.37x37 TM3 Van der Waals
Phosphatidylinositol-4-phosphate R134 3.50x50 TM3 polar (hydrogen bond)
Phosphatidylinositol-4-phosphate R134 3.50x50 TM3 polar (charge-charge)
ST171 I167 4.56x56 TM4 Van der Waals
ST171 I189 45.52x52 ECL2 Van der Waals
ST171 S199 5.42x43 TM5 Van der Waals
ST171 A203 5.46x461 TM5 hydrophobic
Phosphatidylinositol-4-phosphate K342 6.32x32 TM6 polar (charge-charge)
Phosphatidylinositol-4-phosphate K345 6.35x35 TM6 polar (charge-charge)
Phosphatidylinositol-4-phosphate T346 6.36x36 TM6 polar (hydrogen bond)
Phosphatidylinositol-4-phosphate I350 6.40x40 TM6 Van der Waals
ST171 W358 6.48x48 TM6 Van der Waals
ST171 F361 6.51x51 TM6 Van der Waals
ST171 F362 6.52x52 TM6 aromatic (edge-to-face)
ST171 A365 6.55x55 TM6 Van der Waals
ST171 N386 7.39x38 TM7 Van der Waals
ST171 Y390 7.43x42 TM7 Van der Waals
Phosphatidylinositol-4-phosphate I399 7.52x52 TM7 Van der Waals
Phosphatidylinositol-4-phosphate Y400 7.53x53 TM7 Van der Waals
Phosphatidylinositol-4-phosphate F403 7.56x56 TM7 polar (hydrogen bond with backbone)
Phosphatidylinositol-4-phosphate F403 7.56x56 TM7 hydrophobic
Phosphatidylinositol-4-phosphate N404 8.47x47 H8 Van der Waals

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NGL is a WebGL based 3D viewer powered by MMTF.

Download PDB file

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

GPCRdb(A)
GPCRdb(A)
5-HT1A receptor
TM2
2x60 2.61x60 A93
2x63 2.64x63 Y96
2x64 2.65x64 Q97
TM3
3x28 3.28x28 F112
3x32 3.32x32 D116
3x33 3.33x33 V117
3x36 3.36x36 C120
3x37 3.37x37 T121
3x50 3.50x50 R134
TM4
4x56 4.56x56 I167
ECL2
45x52 45.52x52 I189
TM5
5x43 5.42x43 S199
5x461 5.46x461 A203
TM6
6x32 6.32x32 K342
6x35 6.35x35 K345
6x36 6.36x36 T346
6x40 6.40x40 I350
6x48 6.48x48 W358
6x51 6.51x51 F361
6x52 6.52x52 F362
6x55 6.55x55 A365
TM7
7x38 7.39x38 N386
7x42 7.43x42 Y390
7x52 7.52x52 I399
7x53 7.53x53 Y400
7x56 7.56x56 F403
H8
8x47 8.47x47 N404