7NL6

Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	DC-SIGN, CRD domain	polymer	176	20049.1	1	UniProt (Q9NNX6) Pfam (PF00059) In PDB	Homo sapiens (Human)	C-type lectin domain family 4 member L,Dendritic cell-specific ICAM-3-grabbing non-integrin 1,DC-SIGN,DC-SIGN1, CD209 antigen
2	A	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
3	A	Methyl 2-deoxy-2-(4-(pyridine-3-yl))-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside	non-polymer		322.3	1	Chemie (UH8)
4	A	NITRATE ION	non-polymer		62.0	1	Chemie (NO3)
5		water	water		18.0	100	Chemie (HOH)

Sequence modifications

A: 250 - 404 (UniProt: Q9NNX6)

PDB	External Database	Details
Met 229	-	initiating methionine
Gly 230	-	expression tag
Ser 231	-	expression tag
Ser 232	-	expression tag
His 233	-	expression tag
His 234	-	expression tag
His 235	-	expression tag
His 236	-	expression tag
His 237	-	expression tag
His 238	-	expression tag
Ser 239	-	expression tag
Ser 240	-	expression tag
Gly 241	-	expression tag
Leu 242	-	expression tag
Val 243	-	expression tag
Pro 244	-	expression tag
Arg 245	-	expression tag
Gly 246	-	expression tag
Ser 247	-	expression tag
His 248	-	expression tag
Met 249	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	20049.1
Non-Polymers*	Number of molecules	5
	Total formula weight	504.6
All*	Total formula weight	20553.7

*Water molecules are not included.