5AZ5

Crystal structure of human TLR8 in complex with MB-343

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 (E, G, H)	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	3	In PDB GlyTouCan (G81315DD)
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	J, K, N, P (J, K, N, P)	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	In PDB GlyTouCan (G15407YE)
5	M (M)	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		748.7	1	In PDB GlyTouCan (G22573RC)
6	EA, Q, U, Z (C, A)	1-pentyl-4-phenyl-imidazol-2-amine	non-polymer		229.3	4	Chemie (MBL)
7	AA, BA, CA, DA, FA... (C, D, A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	14	Chemie (NAG)
8	IA, JA, KA, LA (A, B, C, D)	water	water		18.0	291	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	7038.5
Non-Polymers*	Number of molecules	18
	Total formula weight	4014.2
All*	Total formula weight	382394.2

*Water molecules are not included.