3R4X

Crystal structure of bovine lactoperoxidase complexed with pyrazine-2-carboxamide at 2 A resolution

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Lactoperoxidase	polymer	595	67853.3	1	UniProt (P80025) Pfam (PF03098) In PDB	Bos taurus (bovine cow domestic cattle domestic cow)	LPO
2	B, C	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
3	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
4	A	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
5	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
6	A	IODIDE ION	non-polymer		126.9	11	Chemie (IOD)
7	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
8	A	THIOCYANATE ION	non-polymer		58.1	1	Chemie (SCN)
9	A	PYRAZINE-2-CARBOXAMIDE	non-polymer		123.1	2	Chemie (PZA)
10	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
11	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
12	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
13		water	water		18.0	499	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	67853.3
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	25
	Total formula weight	3385.2
All*	Total formula weight	72087.3

*Water molecules are not included.