8ING

Structure of the ternary complex of lactoperoxidase with substrate nitric oxide (NO) and product nitrite ion (NO2) at 1.98 A resolution

Replaces:  7WCSReplaces:  4LJJ

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Lactoperoxidase	polymer	595	67651.9	1	UniProt (A0A452E9Y6) Pfam (PF03098)	Capra hircus (goat)
2	B (B)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
3	C, D, E (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
4	F, FA (A)	NITRIC OXIDE	non-polymer		30.0	2	Chemie (NO)
5	G (A)	NITRITE ION	non-polymer		46.0	1	Chemie (NO2)
6	H, I, N, O, P... (A)	NITRATE ION	non-polymer		62.0	7	Chemie (NO3)
7	GA, J, K, M (A)	THIOCYANATE ION	non-polymer		58.1	4	Chemie (SCN)
8	CA, EA, L (A)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
9	AA, IA, JA, KA, LA... (A)	IODIDE ION	non-polymer		126.9	13	Chemie (IOD)
10	BA (A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
11	DA (A)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
12	HA (A)	1-(OXIDOSULFANYL)METHANAMINE	non-polymer		79.1	1	Chemie (OSM)
13	MA, NA (A)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
14	OA (A)	water	water		18.0	366	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	67651.9
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	38
	Total formula weight	4053.6
All*	Total formula weight	72130.0

*Water molecules are not included.