PDB
7E2X
Resolution
3.0 Å
Released
April 14, 2021
Receptor
5-HT1A
Class
A
Species
Homo sapiens
Ligands
Cholesterol
PtdIns4P
Function
PAM
PAM
Reference
10.1038/S41586-021-03376-8
Cholesterol PtdIns4P

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Ligand Amino Acid Generic Number Segment Interaction Type
Cholesterol Y35 1.31x31 TM1 polar (hydrogen bond)
Cholesterol Y35 1.31x31 TM1 Van der Waals
Cholesterol L42 1.38x38 TM1 hydrophobic
Cholesterol L43 1.39x39 TM1 hydrophobic
Cholesterol L46 1.42x42 TM1 hydrophobic
PtdIns4P C49 1.45x45 TM1 Van der Waals
PtdIns4P G53 1.49x49 TM1 Van der Waals
Cholesterol Q97 2.65x64 TM2 Van der Waals
PtdIns4P R134 3.50x50 TM3 polar (charge-assisted hydrogen bond)
PtdIns4P K345 6.35x35 TM6 polar (charge-assisted hydrogen bond)
PtdIns4P T346 6.36x36 TM6 Van der Waals
PtdIns4P I349 6.39x39 TM6 hydrophobic
PtdIns4P I349 6.39x39 TM6 Van der Waals
PtdIns4P I350 6.40x40 TM6 Van der Waals
Cholesterol A383 7.36x35 TM7 hydrophobic
Cholesterol I384 7.37x36 TM7 hydrophobic
Cholesterol W387 7.40x39 TM7 hydrophobic
Cholesterol L395 7.48x48 TM7 hydrophobic
PtdIns4P V398 7.51x51 TM7 hydrophobic
PtdIns4P V398 7.51x51 TM7 Van der Waals
PtdIns4P I399 7.52x52 TM7 polar (hydrogen bond with backbone)
PtdIns4P I399 7.52x52 TM7 Van der Waals
PtdIns4P Y400 7.53x53 TM7 Van der Waals
PtdIns4P Y402 7.55x55 TM7 Van der Waals
PtdIns4P Y402 7.55x55 TM7 hydrophobic
PtdIns4P F403 7.56x56 TM7 Van der Waals
PtdIns4P F403 7.56x56 TM7 polar (hydrogen bond with backbone)
PtdIns4P N404 8.47x47 H8 polar (hydrogen bond with backbone)
PtdIns4P N404 8.47x47 H8 Van der Waals
PtdIns4P K405 8.48x48 H8 polar (charge-assisted hydrogen bond)

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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
TM1
1x31 1.31x31 Y35
1x38 1.38x38 L42
1x39 1.39x39 L43
1x42 1.42x42 L46
1x45 1.45x45 C49
1x49 1.49x49 G53
TM2
2x64 2.65x64 Q97
TM3
3x50 3.50x50 R134
TM6
6x35 6.35x35 K345
6x36 6.36x36 T346
6x39 6.39x39 I349
6x40 6.40x40 I350
TM7
7x35 7.36x35 A383
7x36 7.37x36 I384
7x39 7.40x39 W387
7x48 7.48x48 L395
7x51 7.51x51 V398
7x52 7.52x52 I399
7x53 7.53x53 Y400
7x55 7.55x55 Y402
7x56 7.56x56 F403
H8
8x47 8.47x47 N404
8x48 8.48x48 K405