Binding Site Information of Target

Content Navigation (  All   None )                                      
Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T06850 Target Info
Target Name Ghrelin (GHRL)
Synonyms UNQ524/PRO1066; Motilin-related peptide; M46 protein; Growth hormone secretagogue; Growth hormone releasing peptide; Gastric peptide ghrelin; GHRL
Target Type Clinical trial Target
Gene Name GHRL
UniProt ID
GHRL_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Caprylic acid Ligand Info
Structure Description ghrelin-bound ghrelin receptor in complex with Gq PDB:7F9Y
Method Electron microscopy Resolution 2.90 Å Mutation No [1]
PDB Sequence
GSSFLSPEHQ
9
RVQQR
Residue
Distance (Å)
GLY0
3.321
SER1
3.509
Residue
Distance (Å)
SER2
1.374
Ligand Name: Octylamine Ligand Info
Structure Description Receptor-bound Ghrelin conformation PDB:6H3E
Method Solution NMR Resolution N.A. Mutation Yes [2]
PDB Sequence
GSDFLSPEHQ
10
RVQQRKES
Residue
Distance (Å)
SER2
3.554
ASP3
1.374
PHE4
2.248
LEU5
2.655
SER6
2.267
Residue
Distance (Å)
PRO7
3.090
GLU8
2.877
HIS9
2.547
GLN10
4.162
Ligand Name: [(2~{S})-2-azanyl-3-oxidanylidene-propyl] octanoate Ligand Info
Structure Description Cryo-EM structure of the ghrelin-bound human ghrelin receptor-Go complex PDB:7W2Z
Method Electron microscopy Resolution 2.80 Å Mutation Yes [3]
PDB Sequence
GSFLSPEHQR
11
VQQRK
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K4Q or .K4Q2 or .K4Q3 or :3K4Q;style chemicals stick;color identity;select .L:1 or .L:2 or .L:4 or .L:5; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY1
3.782
SER2
1.326
Residue
Distance (Å)
PHE4
1.330
LEU5
4.459
Ligand Name: O-octanoyl-D-serine Ligand Info
Structure Description Structures of human ghrelin receptor-Gi complexes with ghrelin and a synthetic agonist PDB:7NA7
Method Electron microscopy Resolution 2.70 Å Mutation Yes [4]
PDB Sequence
GSFLSPEHQR
11
V
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1IC or .1IC2 or .1IC3 or :31IC;style chemicals stick;color identity;select .L:1 or .L:2 or .L:4 or .L:5; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY1
3.516
SER2
1.332
Residue
Distance (Å)
PHE4
1.307
LEU5
4.407
References  Top
REF 1 Molecular recognition of an acyl-peptide hormone and activation of ghrelin receptor. Nat Commun. 2021 Aug 20;12(1):5064.
REF 2 Structure and dynamics of G protein-coupled receptor-bound ghrelin reveal the critical role of the octanoyl chain. Proc Natl Acad Sci U S A. 2019 Aug 27;116(35):17525-17530.
REF 3 Molecular mechanism of agonism and inverse agonism in ghrelin receptor. Nat Commun. 2022 Jan 13;13(1):300.
REF 4 Structural basis of human ghrelin receptor signaling by ghrelin and the synthetic agonist ibutamoren. doi:10.1038/s41467-021-26735-5.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.