PDB
7NA8
Resolution
2.7 Å
Released
Dec. 15, 2021
Receptor
ghrelin
Class
A
Species
Homo sapiens
Ligands
Cholesterol
ibutamoren
Function
PAM
Agonist
Reference
10.1038/S41467-021-26735-5
Cholesterol ibutamoren

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Ligand Amino Acid Generic Number Segment Interaction Type
Cholesterol F87 2.48x48 TM2 hydrophobic
Cholesterol L91 2.52x52 TM2 hydrophobic
ibutamoren D99 2.60x60 TM2 polar (charge-assisted hydrogen bond)
ibutamoren R102 2.63x63 TM2 polar (charge-assisted hydrogen bond)
ibutamoren L103 2.64x64 TM2 Van der Waals
ibutamoren F119 3.28x28 TM3 Van der Waals
ibutamoren Q120 3.29x29 TM3 polar (hydrogen bond)
ibutamoren Q120 3.29x29 TM3 Van der Waals
ibutamoren S123 3.32x32 TM3 Van der Waals
ibutamoren E124 3.33x33 TM3 Van der Waals
Cholesterol K161 4.43x43 TM4 polar (charge-assisted hydrogen bond)
Cholesterol I164 4.46x46 TM4 hydrophobic
Cholesterol I164 4.46x46 TM4 Van der Waals
Cholesterol F165 4.47x47 TM4 hydrophobic
Cholesterol W168 4.50x50 TM4 hydrophobic
Cholesterol F172 4.54x54 TM4 hydrophobic
ibutamoren L210 5.36x36 TM5 hydrophobic
ibutamoren L210 5.36x36 TM5 Van der Waals
ibutamoren M213 5.39x39 TM5 hydrophobic
ibutamoren M213 5.39x39 TM5 Van der Waals
ibutamoren V214 5.40x40 TM5 hydrophobic
ibutamoren V214 5.40x40 TM5 Van der Waals
ibutamoren S217 5.43x43 TM5 Van der Waals
ibutamoren F279 6.51x51 TM6 Van der Waals
ibutamoren R283 6.55x55 TM6 polar (charge-assisted hydrogen bond)
ibutamoren F286 6.58x58 TM6 Van der Waals
ibutamoren F286 6.58x58 TM6 hydrophobic
ibutamoren Q302 7.32x31 TM7 Van der Waals
ibutamoren N305 7.35x34 TM7 polar (hydrogen bond with backbone)
ibutamoren N305 7.35x34 TM7 Van der Waals
ibutamoren L306 7.36x35 TM7 Van der Waals
ibutamoren F309 7.39x38 TM7 Van der Waals
ibutamoren F312 7.42x41 TM7 hydrophobic
ibutamoren F312 7.42x41 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
ghrelin receptor
TM2
2x48 2.48x48 F87
2x52 2.52x52 L91
2x60 2.60x60 D99
2x63 2.63x63 R102
2x64 2.64x64 L103
TM3
3x28 3.28x28 F119
3x29 3.29x29 Q120
3x32 3.32x32 S123
3x33 3.33x33 E124
TM4
4x43 4.43x43 K161
4x46 4.46x46 I164
4x47 4.47x47 F165
4x50 4.50x50 W168
4x54 4.54x54 F172
TM5
5x36 5.36x36 L210
5x39 5.39x39 M213
5x40 5.40x40 V214
5x43 5.43x43 S217
TM6
6x51 6.51x51 F279
6x55 6.55x55 R283
6x58 6.58x58 F286
TM7
7x31 7.32x31 Q302
7x34 7.35x34 N305
7x35 7.36x35 L306
7x38 7.39x38 F309
7x41 7.42x41 F312