Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T59082 | Target Info | |||
| Target Name | Membrane-associated lectin type-C (CD209) | ||||
| Synonyms | Surface C-type lectin DC-SIGN; Probable mannose-binding C-type lectin DC-SIGN; MDC-SIGN1A type I isoform; Dendritic cell-specific ICAM-3-grabbing nonintegrin 1; Dendritic cell-specific ICAM-3-grabbing non-integrin 1; DC-specific ICAM-3 grabbing nonintegrin; DC-SIGN1; DC-SIGN; CLEC4L; CD209 antigen; CD 209; C-type lectin domain family 4 member L | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | CD209 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Dimethyl (1s,2s,4s,5s)-4,5-Dihydroxycyclohexane-1,2-Dicarboxylate | Ligand Info | |||
| Canonical SMILES | COC(=O)C1CC(C(CC1C(=O)OC)O)O | ||||
| InChI | 1S/C10H16O6/c1-15-9(13)5-3-7(11)8(12)4-6(5)10(14)16-2/h5-8,11-12H,3-4H2,1-2H3/t5-,6-,7-,8-/m0/s1 | ||||
| InChIKey | ICVNZKRWDVXSLF-XAMCCFCMSA-N | ||||
| PubChem Compound ID | 53389258 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2XR6 Crystal structure of the complex of the carbohydrate recognition domain of human DC-SIGN with pseudo trimannoside mimic. | ||||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | Yes | [1] |
| PDB Sequence |
PCPWEWTFFQ
264 GNCYFMSNSQ274 RNWHDSITAC284 KEVGAQLVVI294 KSAEEQNFLQ304 LQSSRSNRFT 314 WMGLSDLNQE324 GTWQWVDGSP334 LLPSFKQYWN344 RGEPNNVGEE354 DCAEFSGNGW 364 NDDKCNLAKF374 WICKKSAASS384
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| PDB ID: 2XR5 Crystal structure of the complex of the carbohydrate recognition domain of human DC-SIGN with pseudo dimannoside mimic. | ||||||
| Method | X-ray diffraction | Resolution | 1.42 Å | Mutation | No | [2] |
| PDB Sequence |
HPCPWEWTFF
263 QGNCYFMSNS273 QRNWHDSITA283 CKEVGAQLVV293 IKSAEEQNFL303 QLQSSRSNRF 313 TWMGLSDLNQ323 EGTWQWVDGS333 PLLPSFKQYW343 NRGEPNNVGE353 EDCAEFSGNG 363 WNDDKCNLAK373 FWICKKSAAS383 C
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Unique DC-SIGN clustering activity of a small glycomimetic: A lesson for ligand design. ACS Chem Biol. 2014 Jun 20;9(6):1377-85. | ||||
| REF 2 | Structure of a glycomimetic ligand in the carbohydrate recognition domain of C-type lectin DC-SIGN. Structural requirements for selectivity and ligand design. J Am Chem Soc. 2013 Feb 20;135(7):2518-29. | ||||
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