4QBZ

Crystal structure of human TLR8 in complex with DS-802

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Toll-like receptor 8	polymer	811	92835.4	2	UniProt (Q9NR97) Pfam (PF13855)	Homo sapiens (human)	TLR8
2	C (C)	alpha-D-mannopyranose-(2-3)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1
3	D, G (D, G)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2
4	E, H (E, H)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	2
5	F (F)	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	1
6	I, J, K, L, M... (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	11	Chemie (NAG)
7	O, P (A, B)	2-butyl[1,3]oxazolo[4,5-c]quinolin-4-amine	non-polymer		241.3	2	Chemie (D80)
8	V, W (A, B)	water	water		18.0	506	Chemie (HOH)

Sequence modifications

A, B: 27 - 827 (UniProt: Q9NR97)

PDB	External Database	Details
Arg 23	-	expression tag
Ser 24	-	expression tag
Pro 25	-	expression tag
Trp 26	-	expression tag
Glu 828	-	expression tag
Phe 829	-	expression tag
Leu 830	-	expression tag
Val 831	-	expression tag
Pro 832	-	expression tag
Arg 833	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	185670.7
Branched	Number of molecules	6
	Total formula weight	3681.4
Non-Polymers*	Number of molecules	13
	Total formula weight	2915.9
All*	Total formula weight	192268.0

*Water molecules are not included.