6LVZ

Crystal structure of TLR7/Cpd-3 (SM-394830) complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B, A	Toll-like receptor 7	polymer	823	94745.6	2	UniProt (B3Y653) Pfam (PF13855) In PDB	Macaca mulatta (Rhesus macaque)
2	C, D	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	2	In PDB GlyTouCan (G15407YE)
3	E	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	B, A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	11	Chemie (NAG)
5	A, B	SULFATE ION	non-polymer		96.1	9	Chemie (SO4)
6	B	6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7H-purin-8-one	non-polymer		316.3	2	Chemie (EWX)
7		water	water		18.0	13	Chemie (HOH)

Sequence modifications

B, A: 27 - 839 (UniProt: B3Y653)

PDB	External Database	Details
Arg 23	-	expression tag
Ser 24	-	expression tag
Pro 25	-	expression tag
Trp 26	-	expression tag
Gln 167	Asn 167	engineered mutation
Gln 389	Asn 389	engineered mutation
Leu 440	Ser 440	engineered mutation
Val 441	Glu 441	engineered mutation
Pro 442	Val 442	engineered mutation
Arg 443	Gly 443	engineered mutation
Gly 444	Phe 444	engineered mutation
Ser 445	Cys 445	engineered mutation
Gln 488	Asn 488	engineered mutation
Gln 799	Asn 799	engineered mutation
Glu 840	-	expression tag
Phe 841	-	expression tag
Leu 842	-	expression tag
Val 843	-	expression tag
Pro 844	-	expression tag
Arg 845	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	189491.2
Branched	Number of molecules	3
	Total formula weight	1597.5
Non-Polymers*	Number of molecules	22
	Total formula weight	3930.5
All*	Total formula weight	195019.2

*Water molecules are not included.