3WPC

Crystal structure of horse TLR9 in complex with agonistic DNA1668_12mer

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 9	polymer	802	89427.6	2	UniProt (Q2EEY0) Pfam (PF13516) Pfam (PF00560) Pfam (PF13855) Pfam (PF18837)	Equus caballus (domestic horse equine)
2	C, D (F, E)	DNA (5'-D(*CP*AP*TP*GP*AP*CP*GP*TP*TP*CP*CP*T)-3')	polymer	12	3613.4	2		synthetic
3	E, F (C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
4	G, H, I, J, K... (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	13	Chemie (NAG)
5	M, V (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
6	U (B)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
7	W (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
8	AA, X, Y, Z (E, A, B, F)	water	water		18.0	1595	Chemie (HOH)

Sequence modifications

A, B: 26 - 817 (UniProt: Q2EEY0)

PDB	External Database	Details
Arg 22	-	expression tag
Ser 23	-	expression tag
Pro 24	-	expression tag
Trp 25	-	expression tag
Glu 818	-	expression tag
Phe 819	-	expression tag
Leu 820	-	expression tag
Val 821	-	expression tag
Pro 822	-	expression tag
Arg 823	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	186081.9
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	17
	Total formula weight	3182.9
All*	Total formula weight	190113.6

*Water molecules are not included.