4R6A

Crystal structure of human TLR8 in complex with Hybrid-2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Toll-like receptor 8	polymer	811	92835.4	2	UniProt (Q9NR97) Pfam (PF13855) In PDB	Homo sapiens (human)
2	C	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	In PDB GlyTouCan (G81315DD)
3	D, E, G, 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	4	In PDB GlyTouCan (G15407YE)
4	F	alpha-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		748.7	1	In PDB GlyTouCan (G22573RC)
5	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	10	Chemie (NAG)
6	A, B	1-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol	non-polymer		312.4	2	Chemie (HB2)
7		water	water		18.0	402	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	3843.5
Non-Polymers*	Number of molecules	12
	Total formula weight	2836.9
All*	Total formula weight	192351.2

*Water molecules are not included.