5AWC

Crystal structure of human TLR8 in complex with MB-564

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, G, H, J, K... (E, G, H, J, K...)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	8	In PDB GlyTouCan (G15407YE)
3	F, I, L, O (F, I, L, O)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	4	In PDB GlyTouCan (G42666HT)
4	BA, CA, Q, R, S... (D, A, B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	9	Chemie (NAG)
5	AA, T, U, Z (D, A, B, C)	5-(4-azanylbutyl)-3-pentyl-quinolin-2-amine	non-polymer		285.4	4	Chemie (M4D)
6	DA, EA, FA, GA (A, B, C, D)	water	water		18.0	123	Chemie (HOH)

Sequence modifications

A, B, C, D: 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	4
	Total formula weight	371341.5
Branched	Number of molecules	12
	Total formula weight	6389.9
Non-Polymers*	Number of molecules	13
	Total formula weight	3132.6
All*	Total formula weight	380864.0

*Water molecules are not included.