9MHY

Human TLR8 ectodomain with small molecule agonist 1

This is a non-PDB format compatible entry.

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	807	92307.8	2	UniProt (Q9NR97) Pfam (PF13855)	Homo sapiens (human)
2	C, F (C, F)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(2-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	2
3	D, E, G, H (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
4	AA, BA, CA, I, J... (B, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	18	Chemie (NAG)
5	DA, R, S (B, A)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
6	EA, T (B, A)	(3S,4R)-4-[({3-[(5-amino-7-{[(3S)-1-hydroxyhexan-3-yl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)methyl]-4-methoxyphenyl}methyl)amino]oxolan-3-ol	non-polymer		485.6	2	Chemie (A1BLN)
7	FA, GA (A, B)	water	water		18.0	1079	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	4167.8
Non-Polymers*	Number of molecules	23
	Total formula weight	5241.1
All*	Total formula weight	194024.4

*Water molecules are not included.