7R52

Crystal structure of human TLR8 in complex with Compound 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	807	92307.8	2	UniProt (Q9NR97) Pfam (PF13855) In PDB	Homo sapiens (human)
2	C, E, F, H	alpha-D-mannopyranose-(1-3)-[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		910.8	4	In PDB GlyTouCan (G22768VO)
3	D, G	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	In PDB GlyTouCan (G15407YE)
4	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	12	Chemie (NAG)
5	A, B	5-methoxy-6-pyridin-4-yl-1~{H}-indole	non-polymer		224.3	2	Chemie (I6A)
6		water	water		18.0	215	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
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	184615.5
Branched	Number of molecules	6
	Total formula weight	4816.4
Non-Polymers*	Number of molecules	14
	Total formula weight	3103.0
All*	Total formula weight	192534.9

*Water molecules are not included.