5XPR

Human endothelin receptor type-B in complex with antagonist bosentan

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Endothelin B receptor,Endolysin,Endothelin B receptor	polymer	464	52128.1	1	UniProt (P24530) UniProt (P00720) Pfam (PF00001) Pfam (PF00959)	Homo sapiens (Human)	ET-BR,Endothelin receptor non-selective type,Lysis protein,Lysozyme,Muramidase
2	B (A)	4-tert-butyl-N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide	non-polymer		551.6	1	Chemie (K86)
3	C, D, E, F (A)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)

Sequence modifications

A: 66 - 303 (UniProt: P24530)

PDB	External Database	Details
Gly 63	-	expression tag
Gly 64	-	expression tag
Gly 65	-	expression tag
Tyr 124	Arg 124	engineered mutation
Ala 270	Lys 270	engineered mutation

A: 1018 - 1118 (UniProt: P00720)

PDB	External Database	Details
Ala 1054	Cys 97	engineered mutation
Arg 1094	Ile 137	engineered mutation

A: 311 - 407 (UniProt: P24530)

PDB	External Database	Details
Asn 1002	-	linker
Ile 1003	-	linker
Phe 1004	-	linker
Glu 1005	-	linker
Met 1006	-	linker
Leu 1007	-	linker
Arg 1008	-	linker
Ile 1009	-	linker
Asp 1010	-	linker
Glu 1011	-	linker
Gly 1012	-	linker
Gly 1013	-	linker
Gly 1014	-	linker
Ser 1015	-	linker
Gly 1016	-	linker
Gly 1017	-	linker
Ala 342	Ser 342	engineered mutation
Ala 381	Ile 381	engineered mutation
Ala 396	Cys 396	engineered mutation
Ala 400	Cys 400	engineered mutation
Ala 405	Cys 405	engineered mutation
Pro 408	-	expression tag
Ser 409	-	expression tag
Ser 410	-	expression tag
Glu 411	-	expression tag
Asn 412	-	expression tag
Leu 413	-	expression tag
Tyr 414	-	expression tag
Phe 415	-	expression tag
Gln 416	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	52128.1
Non-Polymers*	Number of molecules	5
	Total formula weight	935.9
All*	Total formula weight	53064.0

*Water molecules are not included.