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 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
CD209_HUMAN
Ligand General Information  Top
Ligand Name Alpha-D-Mannose Ligand Info
Canonical SMILES C(C1C(C(C(C(O1)O)O)O)O)O
InChI 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKey WQZGKKKJIJFFOK-PQMKYFCFSA-N
PubChem Compound ID 185698
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
GNCYFMSNSQ
274
RNWHDSITAC
284
KEVGAQLVVI
294
KSAEEQNFLQ
304

LQSSRSNRFT
314
WMGLSDLNQE
324
GTWQWVDGSP
334
LLPSFKQYWN
344
RGEPNNVGEE
354

DCAEFSGNGW
364
NDDKCNLAKF
374
WICKKSAASS
384
Residue
Distance (Å)
GLU347
2.557
ASN349
2.936
VAL351
3.863
GLU354
2.540
Residue
Distance (Å)
GLU358
4.829
ASN365
3.020
ASP366
2.979
ASP367
3.931
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
QGNCYFMSNS
273
QRNWHDSITA
283
CKEVGAQLVV
293
IKSAEEQNFL
303

QLQSSRSNRF
313
TWMGLSDLNQ
323
EGTWQWVDGS
333
PLLPSFKQYW
343
NRGEPNNVGE
353

EDCAEFSGNG
363
WNDDKCNLAK
373
FWICKKSAAS
383
C
Residue
Distance (Å)
GLU347
2.598
ASN349
2.935
VAL351
3.931
GLU354
2.539
Residue
Distance (Å)
GLU358
4.801
ASN365
2.981
ASP366
2.923
ASP367
3.965
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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