Target Binding Site Detail
Target General Information | Top | ||||
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Target ID | T82841 | Target Info | |||
Target Name | Insulin (INS) | ||||
Synonyms | Insulin | ||||
Target Type | Successful Target | ||||
Gene Name | INS | ||||
UniProt ID |
Ligand General Information | Top | ||||
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Ligand Name | N-(16-Carboxyhexadecanoyl)-L-Glutamic Acid | Ligand Info | |||
Canonical SMILES | C(CCCCCCCC(=O)O)CCCCCCC(=O)NC(CCC(=O)O)C(=O)O | ||||
InChI | 1S/C21H37NO7/c23-18(22-17(21(28)29)15-16-20(26)27)13-11-9-7-5-3-1-2-4-6-8-10-12-14-19(24)25/h17H,1-16H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)/t17-/m0/s1 | ||||
InChIKey | SGIVALYPXQHYAY-KRWDZBQOSA-N | ||||
PubChem Compound ID | 90819887 |
Drug Binding Sites of Target | Top | |||||
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PDB ID: 4AJX Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin | ||||||
Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | No | [1] |
PDB Sequence |
> Chain A
GIVEQCCTSI 10 CSLYQLENYC20 N> Chain B FVNQHLCGSH 10 LVEALYLVCG20 ERGFFYTPK
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PDB ID: 4AKJ Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin | ||||||
Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [1] |
PDB Sequence |
> Chain A
GIVEQCCTSI 10 CSLYQLENYC20 N> Chain B FVNQHLCGSH 10 LVEALYLVCG20 ERGFFYTPK
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References | Top | ||||
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REF 1 | Ligand-controlled assembly of hexamers, dihexamers, and linear multihexamer structures by the engineered acylated insulin degludec. Biochemistry. 2013 Jan 15;52(2):295-309. |
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