9SDS

Structure of native leukocyte myeloperoxidase in complex with a truncated version of the Staphylococcal Peroxidase Inhibitor SPIN and chloride at pH 5.5

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (A, B)	Myeloperoxidase light chain	polymer	114	12894.5	2	UniProt (P05164)	Homo sapiens (human)
2	B, F (E, F)	Myeloperoxidase inhibitor SPIN	polymer	60	6922.7	2	UniProt (Q2G0X2)	Staphylococcus aureus
3	C, E (C, D)	Myeloperoxidase	polymer	467	53305.3	2	UniProt (P05164) Pfam (PF03098)	Homo sapiens (human)	MPO
4	G, J (G, J)	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)
5	H, I, K (H, I, K)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	3	In PDB GlyTouCan (G42666HT)
6	L, Q (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
7	M, R (A, B)	IODIDE ION	non-polymer		126.9	2	Chemie (IOD)
8	N, T (C, D)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
9	O, P, U (C, D)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
10	S (D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
11	AA, V, W, X, Y... (F, A, E, C, B...)	water	water		18.0	298	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	146244.9
Branched	Number of molecules	5
	Total formula weight	3387.1
Non-Polymers*	Number of molecules	10
	Total formula weight	1894.5
All*	Total formula weight	151526.5

*Water molecules are not included.