Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T44919 Target Info
Target Name Glucagon (GCG)
Synonyms GRPP; GLP2; GLP1; GLP-1
Target Type Clinical trial Target
Gene Name GCG
Biochemical Class Glucagon
UniProt ID
GLUC_HUMAN
Ligand General Information  Top
Ligand Name Alpha-Aminoisobutyric Acid Ligand Info
Canonical SMILES CC(C)(C(=O)O)N
InChI 1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
InChIKey FUOOLUPWFVMBKG-UHFFFAOYSA-N
PubChem Compound ID 6119
Drug Binding Sites of Target  Top
PDB ID: 7KI0      Semaglutide-bound Glucagon-Like Peptide-1 (GLP-1) Receptor in Complex with Gs protein
Method Electron microscopy Resolution 2.50 Å Mutation No [1]
PDB Sequence
HEGTFTSDVS
17
SYLEGQAAKE
27
FIAWLVRGR
Residue
Distance (Å)
HIS7
1.338
GLU9
1.339
GLY10
3.352
Residue
Distance (Å)
THR11
3.044
PHE12
2.820
THR13
4.818
PDB ID: 2M5P      Solution structure of lipidated glucagon analog in water
Method Solution NMR Resolution N.A. Mutation Yes [2]
PDB Sequence
HQGTFTSDYS
11
KKLDRRAQDF
22
VQWLMNT
Residue
Distance (Å)
HIS1
1.320
GLN3
1.320
GLY4
2.223
THR5
4.293
PHE6
2.440
THR7
4.336
ASP9
4.568
Residue
Distance (Å)
LEU14
2.717
ASP15
1.329
ARG17
1.331
ARG18
3.059
ALA19
1.671
GLN20
3.306
PHE22
4.555
PDB ID: 2M5Q      Solution structure of lipidated glucagon analog in d-TFE
Method Solution NMR Resolution N.A. Mutation Yes [3]
PDB Sequence
HQGTFTSDYS
11
KKLDRRAQDF
22
VQWLMNT
Residue
Distance (Å)
HIS1
1.329
GLN3
1.328
GLY4
2.049
THR5
1.694
PHE6
1.914
THR7
3.895
LYS12
3.931
LYS13
2.421
Residue
Distance (Å)
LEU14
1.743
ASP15
1.329
ARG17
1.329
ARG18
2.121
ALA19
2.344
GLN20
1.958
ASP21
3.800
References  Top
REF 1 Structure and dynamics of semaglutide- and taspoglutide-bound GLP-1R-Gs complexes. Cell Rep. 2021 Jul 13;36(2):109374.
REF 2 Structural Changes Associated with Peptide Lipidation Broaden Biological Function
REF 3 Structural Changes Associated with Peptide Lipidation Broaden Biological Function

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