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 Urea Ligand Info
Canonical SMILES C(=O)(N)N
InChI 1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
InChIKey XSQUKJJJFZCRTK-UHFFFAOYSA-N
PubChem Compound ID 1176
Drug Binding Sites of Target  Top
PDB ID: 2OMH      Structure of human insulin cocrystallized with ARG-12 peptide in presence of urea
Method X-ray diffraction Resolution 1.36 Å Mutation No [1]
PDB Sequence
GIVEQCCTSI
10
CSLYQLENYC
20
N
Residue
Distance (Å)
GLN5
2.873
CYS6
4.754
SER9
3.432
Residue
Distance (Å)
ILE10
3.319
CYS11
3.425
GLN15
3.598
PDB ID: 2OMG      Structure of human insulin cocrystallized with protamine and urea
Method X-ray diffraction Resolution 1.52 Å Mutation No [1]
PDB Sequence
> Chain A
GIVEQCCTSI
10
CSLYQLENYC
20
N
> Chain B
FVNQHLCGSH
10
LVEALYLVCG
20
ERGFFYTP
Residue [Chain]
Distance (Å)
GLN5[A]
2.953
CYS6[A]
4.869
CYS7[A]
2.954
SER9[A]
3.474
ILE10[A]
2.970
CYS11[A]
3.599
GLN15[A]
3.750
Residue [Chain]
Distance (Å)
ASN3[B]
3.194
GLN4[B]
4.087
CYS7[B]
3.904
VAL2[B]
4.099
ASN3[B]
2.153
LEU6[B]
3.230
PDB ID: 2OLY      Structure of human insulin in presence of urea at pH 7.0
Method X-ray diffraction Resolution 1.70 Å Mutation No [2]
PDB Sequence
GIVEQCCTSI
10
CSLYQLENYC
20
N
Residue
Distance (Å)
GLN5
3.185
CYS6
4.658
SER9
2.807
Residue
Distance (Å)
ILE10
2.792
CYS11
3.312
GLN15
3.201
PDB ID: 2OM0      Structure of human insulin in presence of urea at pH 6.5
Method X-ray diffraction Resolution 2.05 Å Mutation No [2]
PDB Sequence
GIVEQCCTSI
10
CSLYQLENYC
20
N
Click to Show 3D Structure of This Binding Site
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Residue
Distance (Å)
GLN5
2.647
CYS6
4.388
SER9
2.899
Residue
Distance (Å)
ILE10
3.464
CYS11
3.600
GLN15
3.550
References  Top
REF 1 Structural characterization of insulin NPH formulations. Eur J Pharm Sci. 2007 Apr;30(5):414-23.
REF 2 Crystallographic characterization of two novel crystal forms of human insulin induced by chaotropic agents and a shift in pH. BMC Struct Biol. 2007 Dec 19;7:83.

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