4R09

Crystal structure of human TLR8 in complex with ORN06S

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Toll-like receptor 8	polymer	811	92835.4	4	UniProt (Q9NR97) Pfam (PF13855)	Homo sapiens (human)
2	E, K (E, K)	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	2	In PDB GlyTouCan (G22768VO)
3	F, G, I, J, M... (F, G, I, J, M...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	6	In PDB GlyTouCan (G42666HT)
4	H, L, N (H, L, N)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	3	In PDB GlyTouCan (G15407YE)
5	AA, P, T, Z (D, A, B)	URIDINE	non-polymer		244.2	4	Chemie (URI)
6	BA, Q, U, X (D, A, B, C)	O-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran-3-yl] dihydrogen (S)-phosphorothioate	non-polymer		797.6	4	Chemie (06S)
7	CA, R, V, Y (D, A, B, C)	1-[(2R,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1H,3H)-dione	non-polymer		322.2	4	Chemie (UPT)
8	DA, S, W (D, A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)

Sequence modifications

A, B, C, D: 26 - 827 (UniProt: Q9NR97)

PDB	External Database	Details
Arg 22	-	expression tag
Ser 23	-	expression tag
Pro 24	-	expression tag
Trp 25	-	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	4
	Total formula weight	371341.5
Branched	Number of molecules	11
	Total formula weight	6127.7
Non-Polymers*	Number of molecules	15
	Total formula weight	6119.6
All*	Total formula weight	383588.8

*Water molecules are not included.