5N2S

Crystal structure of stabilized A1 receptor in complex with PSB36 at 3.3A resolution

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Soluble cytochrome b562,Adenosine receptor A1	polymer	436	48445.9	1	UniProt (P0ABE7) UniProt (P30542) Pfam (PF07361) Pfam (PF00001) In PDB	Escherichia coli	Cytochrome b-562
2	A	1-butyl-3-(3-oxidanylpropyl)-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione	non-polymer		386.5	1	Chemie (8K8)
3	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4		water	water		18.0	2	Chemie (HOH)

Sequence modifications

A: 1000 - null (UniProt: P0ABE7)

PDB	External Database	Details
Ala 999	-	expression tag
Ser 1000	Ala 22	engineered mutation
Trp 1007	Met 29	engineered mutation
Ile 1102	His 124	engineered mutation
Leu	-	linker
Ala	-	linker
Ser	-	linker

A: null - 1421 (UniProt: P30542)

PDB	External Database	Details
Leu 1162	Ala 57	engineered mutation
Ala 1196	Thr 91	engineered mutation
Ala 1264	Asn 159	engineered mutation
Ala 1310	Tyr 205	engineered mutation
Ala 1341	Leu 236	engineered mutation
Ala 1345	Leu 240	engineered mutation
Ala 1382	Thr 277	engineered mutation
Ser 1414	Cys 309	engineered mutation
Ala 1422	-	expression tag
Ala 1423	-	expression tag
Ala 1424	-	expression tag
His 1425	-	expression tag
His 1426	-	expression tag
His 1427	-	expression tag
His 1428	-	expression tag
His 1429	-	expression tag
His 1430	-	expression tag
His 1431	-	expression tag
His 1432	-	expression tag
His 1433	-	expression tag
His 1434	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	48445.9
Non-Polymers*	Number of molecules	3
	Total formula weight	578.6
All*	Total formula weight	49024.5

*Water molecules are not included.