Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Alpha-D-Mannose | Ligand Info | |||||
| Structure Description | Crystal structure of the complex of the carbohydrate recognition domain of human DC-SIGN with pseudo trimannoside mimic. | PDB:2XR6 | ||||
| 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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Methyl 2-deoxy-2-(4-(pyridine-3-yl))-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside | Ligand Info | |||||
| Structure Description | Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand | PDB:7NL6 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [2] |
| PDB Sequence |
CHPCPWEWTF
262 FQGNCYFMSN272 SQRNWHDSIT282 ACKEVGAQLV292 VIKSAEEQNF302 LQLQSSRSNR 312 FTWMGLSDLN322 QEGTWQWVDG332 SPLLPSFKQY342 WNRGEPNNVG352 EEDCAEFSGN 362 GWNDDKCNLA372 KFWICKKSAA382 SC
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| Ligand Name: 2-Azidoethanol | Ligand Info | |||||
| Structure Description | Crystal structure of the complex of the carbohydrate recognition domain of human DC-SIGN with pseudo trimannoside mimic. | PDB:2XR6 | ||||
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AE9 or .AE92 or .AE93 or :3AE9;style chemicals stick;color identity;select .A:349 or .A:351; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Dimethyl (1s,2s,4s,5s)-4,5-Dihydroxycyclohexane-1,2-Dicarboxylate | Ligand Info | |||||
| Structure Description | Crystal structure of the complex of the carbohydrate recognition domain of human DC-SIGN with pseudo trimannoside mimic. | PDB:2XR6 | ||||
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .07B or .07B2 or .07B3 or :307B;style chemicals stick;color identity;select .A:351 or .A:352; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside | Ligand Info | |||||
| Structure Description | Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand | PDB:7NL7 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [2] |
| PDB Sequence |
CHPCPWEWTF
262 FQGNCYFMSN272 SQRNWHDSIT282 ACKEVGAQLV292 VIKSAEEQNF302 LQLQSSRSNR 312 FTWMGLSDLN322 QEGTWQWVDG332 SPLLPSFKQY342 WNRGEPNNVG352 EEDCAEFSGN 362 GWNDDKCNLA372 KFWICKKSAA382 SC
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UH5 or .UH52 or .UH53 or :3UH5;style chemicals stick;color identity;select .A:313 or .A:344 or .A:347 or .A:349 or .A:351 or .A:354 or .A:358 or .A:360 or .A:365 or .A:366 or .A:367 or .A:368 or .A:371 or .A:373; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [1-[(2S,3S,4R,5S,6R)-2-[(1S,2S,4S,5S)-2-(2-chloroethoxy)-4,5-bis[[4-(hydroxymethyl)phenyl]methylcarbamoyl]cyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methylazanium | Ligand Info | |||||
| Structure Description | Structure of a DC-SIGN CRD in complex with high affinity glycomimetic. | PDB:6GHV | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [3] |
| PDB Sequence |
CHPCPWEWTF
262 FQGNCYFMSN272 SQRNWHDSIT282 ACKEVGAQLV292 VIKSAEEQNF302 LQLQSSRSNR 312 FTWMGLSDLN322 QEGTWQWVDG332 SPLLPSFKQY342 WNRGEPNNVG352 EEDCAEFSGN 362 GWNDDKCNLA372 KFWICKKSAA382 SC
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EZ8 or .EZ82 or .EZ83 or :3EZ8;style chemicals stick;color identity;select .A:313 or .A:347 or .A:349 or .A:351 or .A:352 or .A:354 or .A:358 or .A:360 or .A:365 or .A:366 or .A:367 or .A:368 or .A:373; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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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 | Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2. J Am Chem Soc. 2021 Oct 27;143(42):17465-17478. | ||||
| REF 3 | Enhancing Potency and Selectivity of a DC-SIGN Glycomimetic Ligand by Fragment-Based Design: Structural Basis. Chemistry. 2019 Nov 18;25(64):14659-14668. | ||||
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