PDB
7E2X
Resolution
3.0 Å
Released
April 14, 2021
Receptor
5-HT1A
Class
A
Species
Homo sapiens
Ligands
Function
Cholesterol
PAM
PtdIns4P
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 T39 1.35x35 TM1 Van der Waals
Cholesterol S40 1.36x36 TM1 Van der Waals
Cholesterol L42 1.38x38 TM1 hydrophobic
Cholesterol L43 1.39x39 TM1 hydrophobic
Cholesterol G44 1.40x40 TM1 Van der Waals
Cholesterol T45 1.41x41 TM1 Van der Waals
Cholesterol L46 1.42x42 TM1 hydrophobic
Cholesterol I47 1.43x43 TM1 hydrophobic
Cholesterol F48 1.44x44 TM1 hydrophobic
Cholesterol C49 1.45x45 TM1 Van der Waals
PtdIns4P C49 1.45x45 TM1 Van der Waals
PtdIns4P L52 1.48x48 TM1 Van der Waals
Cholesterol L52 1.48x48 TM1 Van der Waals
PtdIns4P G53 1.49x49 TM1 Van der Waals
Cholesterol C56 1.52x52 TM1 Van der Waals
Cholesterol V58 1.54x54 TM1 Van der Waals
Cholesterol A62 1.58x58 TM1 hydrophobic
Cholesterol Y73 2.41x41 TM2 hydrophobic
Cholesterol V80 2.48x48 TM2 hydrophobic
Cholesterol L83 2.51x51 TM2 Van der Waals
Cholesterol M84 2.52x52 TM2 hydrophobic
Cholesterol M84 2.52x52 TM2 Van der Waals
Cholesterol V87 2.55x55 TM2 Van der Waals
Cholesterol L88 2.56x551 TM2 hydrophobic
Cholesterol P91 2.59x58 TM2 Van der Waals
Cholesterol M92 2.60x59 TM2 hydrophobic
Cholesterol L95 2.63x62 TM2 hydrophobic
Cholesterol Q97 2.65x64 TM2 hydrophobic
Cholesterol V98 2.66x65 TM2 Van der Waals
Cholesterol T108 3.24x24 TM3 hydrophobic
Cholesterol L111 3.27x27 TM3 hydrophobic
PtdIns4P R134 3.50x50 TM3 polar (hydrogen bond)
PtdIns4P R134 3.50x50 TM3 polar (charge-charge)
Cholesterol P150 4.39x39 TM4 hydrophobic
Cholesterol A154 4.43x43 TM4 Van der Waals
Cholesterol I157 4.46x46 TM4 Van der Waals
Cholesterol L209 5.52x52 TM5 hydrophobic
Cholesterol L212 5.55x55 TM5 hydrophobic
Cholesterol V213 5.56x56 TM5 Van der Waals
Cholesterol G216 5.59x59 TM5 Van der Waals
Cholesterol F219 5.62x62 TM5 Van der Waals
PtdIns4P K345 6.35x35 TM6 polar (charge-charge)
Cholesterol K345 6.35x35 TM6 Van der Waals
PtdIns4P K345 6.35x35 TM6 polar (hydrogen bond)
PtdIns4P T346 6.36x36 TM6 Van der Waals
Cholesterol G348 6.38x38 TM6 Van der Waals
PtdIns4P I349 6.39x39 TM6 hydrophobic
Cholesterol I349 6.39x39 TM6 hydrophobic
PtdIns4P I350 6.40x40 TM6 Van der Waals
Cholesterol L356 6.46x46 TM6 hydrophobic
Cholesterol C357 6.47x47 TM6 Van der Waals
Cholesterol P360 6.50x50 TM6 hydrophobic
Cholesterol I363 6.53x53 TM6 hydrophobic
Cholesterol H376 ECL3 Van der Waals
Cholesterol P378 7.31x30 TM7 Van der Waals
Cholesterol L381 7.34x33 TM7 hydrophobic
Cholesterol A383 7.36x35 TM7 hydrophobic
Cholesterol I384 7.37x36 TM7 hydrophobic
Cholesterol W387 7.40x39 TM7 Van der Waals
Cholesterol L388 7.41x40 TM7 hydrophobic
Cholesterol S391 7.44x43 TM7 Van der Waals
Cholesterol L394 7.47x47 TM7 Van der Waals
Cholesterol L394 7.47x47 TM7 hydrophobic
Cholesterol L395 7.48x48 TM7 Van der Waals
Cholesterol L395 7.48x48 TM7 hydrophobic
PtdIns4P V398 7.51x51 TM7 hydrophobic
Cholesterol V398 7.51x51 TM7 hydrophobic
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 F403 7.56x56 TM7 hydrophobic
Cholesterol F403 7.56x56 TM7 Van der Waals
PtdIns4P N404 8.47x47 H8 Van der Waals
PtdIns4P K405 8.48x48 H8 polar (hydrogen bond)
PtdIns4P K405 8.48x48 H8 polar (charge-charge)
Cholesterol Q408 8.51x51 H8 hydrophobic
Cholesterol F411 8.54x54 H8 hydrophobic
Cholesterol I415 8.58x58 H8 hydrophobic

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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
1x35 1.35x35 T39
1x36 1.36x36 S40
1x38 1.38x38 L42
1x39 1.39x39 L43
1x40 1.40x40 G44
1x41 1.41x41 T45
1x42 1.42x42 L46
1x43 1.43x43 I47
1x44 1.44x44 F48
1x45 1.45x45 C49
1x48 1.48x48 L52
1x49 1.49x49 G53
1x52 1.52x52 C56
1x54 1.54x54 V58
1x58 1.58x58 A62
TM2
2x41 2.41x41 Y73
2x48 2.48x48 V80
2x51 2.51x51 L83
2x52 2.52x52 M84
2x55 2.55x55 V87
2x551 2.56x551 L88
2x58 2.59x58 P91
2x59 2.60x59 M92
2x62 2.63x62 L95
2x64 2.65x64 Q97
2x65 2.66x65 V98
TM3
3x24 3.24x24 T108
3x27 3.27x27 L111
3x50 3.50x50 R134
TM4
4x39 4.39x39 P150
4x43 4.43x43 A154
4x46 4.46x46 I157
TM5
5x52 5.52x52 L209
5x55 5.55x55 L212
5x56 5.56x56 V213
5x59 5.59x59 G216
5x62 5.62x62 F219
TM6
6x35 6.35x35 K345
6x36 6.36x36 T346
6x38 6.38x38 G348
6x39 6.39x39 I349
6x40 6.40x40 I350
6x46 6.46x46 L356
6x47 6.47x47 C357
6x50 6.50x50 P360
6x53 6.53x53 I363
TM7
7x30 7.31x30 P378
7x33 7.34x33 L381
7x35 7.36x35 A383
7x36 7.37x36 I384
7x39 7.40x39 W387
7x40 7.41x40 L388
7x43 7.44x43 S391
7x47 7.47x47 L394
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
8x51 8.51x51 Q408
8x54 8.54x54 F411
8x58 8.58x58 I415