8TTY

Crystal structure of monkey TLR7 ectodomain with compound 5

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Toll-like receptor 7	polymer	817	94014.7	2	UniProt (G8E2R2) Pfam (PF13855) UniProt (by SIFTS) (B3Y653) In PDB	Macaca mulatta (Rhesus monkey)
2	C	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
3	D, E, F	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	3	In PDB GlyTouCan (G42666HT)
4	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	14	Chemie (NAG)
5	A, B	N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine	non-polymer		409.5	2	Chemie (QEC)
6	B	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
7		water	water		18.0	754	Chemie (HOH)

Sequence modifications

A, B: 27 - 839 (UniProt: G8E2R2)

PDB	External Database	Details
Arg 23	-	expression tag
Ser 24	-	expression tag
Pro 25	-	expression tag
Trp 26	-	expression tag
Gln 167	Asn 166	conflict
Gln 389	Asn 388	conflict
Gln 488	Asn 487	conflict
Gln 799	Asn 798	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	188029.3
Branched	Number of molecules	4
	Total formula weight	1859.7
Non-Polymers*	Number of molecules	19
	Total formula weight	4204.2
All*	Total formula weight	194093.2

*Water molecules are not included.