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 T82841 Target Info
Target Name Insulin (INS)
Synonyms Insulin
Target Type Successful Target
Gene Name INS
UniProt ID
INS_HUMAN
Ligand General Information  Top
Ligand Name Arginine Ligand Info
Canonical SMILES C(CC(C(=O)O)N)CN=C(N)N
InChI 1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
InChIKey ODKSFYDXXFIFQN-BYPYZUCNSA-N
PubChem Compound ID 6322
Drug Binding Sites of Target  Top
PDB ID: 5MT9      Human insulin in complex with serotonin and arginine
Method X-ray diffraction Resolution 1.88 Å Mutation No [1]
PDB Sequence
HLCGSHLVEA
14
LYLVCGERGF
24
FYTPK
Residue
Distance (Å)
HIS5
2.715
LEU6
3.263
CYS7
2.904
HIS10
2.645
Residue
Distance (Å)
LEU11
4.562
GLU13
2.386
ALA14
3.963
PDB ID: 5MT3      Human insulin in complex with serotonin and arginine
Method X-ray diffraction Resolution 2.02 Å Mutation No [1]
PDB Sequence
HLCGSHLVEA
14
LYLVCGERGF
24
FYTP
Residue
Distance (Å)
HIS5
2.668
LEU6
3.367
CYS7
3.017
Residue
Distance (Å)
SER9
4.738
HIS10
3.012
GLU13
3.279
References  Top
REF 1 Computational and structural evidence for neurotransmitter-mediated modulation of the oligomeric states of human insulin in storage granules. J Biol Chem. 2017 May 19;292(20):8342-8355.

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