7QZR

Structure of native leukocyte myeloperoxidase in complex with the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Myeloperoxidase light chain	polymer	114	12894.5	2	UniProt (P05164)	Homo sapiens (human)
2	B (B)	Myeloperoxidase heavy chain	polymer	467	53337.3	1	UniProt (P05164) Pfam (PF03098)	Homo sapiens (human)
3	D (D)	Myeloperoxidase heavy chain	polymer	467	53337.3	1	UniProt (P05164) Pfam (PF03098)	Homo sapiens (human)
4	E, F (E, F)	Exported protein	polymer	102	11318.8	2	UniProt (A0A0D1H8K9) UniProt (by SIFTS) (Q2G0X2)	Staphylococcus aureus	Myeloperoxidase inhibitor SPIN,Peroxidase inhibitor
5	G, H, J, K (G, H, J, K)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	4	In PDB GlyTouCan (G42666HT)
6	I, L (I, L)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]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		1057.0	2	In PDB GlyTouCan (G82348BZ)
7	M, Q, R, U (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
8	N, V (A, C)	HEME C	non-polymer		618.5	2	Chemie (HEC)
9	O, W (A, C)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
10	P, X (B, D)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
11	S (B)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
12	T (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
13	AA, BA, CA, DA, Y... (C, D, E, F, A...)	water	water		18.0	526	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	155101.1
Branched	Number of molecules	6
	Total formula weight	3811.5
Non-Polymers*	Number of molecules	12
	Total formula weight	1837.4
All*	Total formula weight	160750.1

*Water molecules are not included.