7NI3

CRYSTAL STRUCTURE OF NATIVE HUMAN MYELOPEROXIDASE IN COMPLEX WITH CPD 3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Myeloperoxidase	polymer	105	11974.4	2	UniProt (P05164)	Homo sapiens (Human)	MPO
2	C, D (C, D)	Myeloperoxidase	polymer	466	53234.2	2	UniProt (P05164) Pfam (PF03098)	Homo sapiens (Human)	MPO
3	E, F (E, F)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		732.7	2	In PDB GlyTouCan (G32152BH)
4	G, J (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
5	H, I, K, L, O (A, B, C)	CHLORIDE ION	non-polymer		35.5	5	Chemie (CL)
6	M, S (C, D)	2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one	non-polymer		252.3	2	Chemie (UE8)
7	N, W (C, D)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
8	P, Q, U, V (C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)
9	R, T (C, D)	beta-D-mannopyranose	non-polymer		180.2	2	Chemie (BMA)
10	AA, X, Y, Z (D, A, B, C)	water	water		18.0	796	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	130417.2
Branched	Number of molecules	2
	Total formula weight	1465.4
Non-Polymers*	Number of molecules	17
	Total formula weight	3240.1
All*	Total formula weight	135122.7

*Water molecules are not included.