9QEX

Structure of native leukocyte myeloperoxidase in complex with a truncated version of the Staphylococcal Peroxidase Inhibitor SPIN and thiocyanate at pH 7.5

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, D)	Myeloperoxidase heavy chain	polymer	467	53337.3	2	UniProt (P05164) Pfam (PF03098)	Homo sapiens (human)
2	C, D (E, F)	Myeloperoxidase inhibitor SPIN	polymer	60	6922.7	2	UniProt (Q2G0X2)	Staphylococcus aureus
3	E, F (A, C)	Myeloperoxidase light chain	polymer	114	12894.5	2	UniProt (P05164)	Homo sapiens (human)
4	G, J (G, J)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
5	H (I)	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	1	In PDB GlyTouCan (G82348BZ)
6	I (H)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]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		1260.2	1	In PDB GlyTouCan (G45889JQ)
7	K, U (B, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
8	L, V (B, D)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
9	BA, CA, DA, EA, M... (A, C, B, D)	THIOCYANATE ION	non-polymer		58.1	15	Chemie (SCN)
10	AA, T (D, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
11	FA, GA, HA, IA, JA... (B, D, E, F, A...)	water	water		18.0	775	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	146308.9
Branched	Number of molecules	4
	Total formula weight	3165.9
Non-Polymers*	Number of molecules	21
	Total formula weight	2626.8
All*	Total formula weight	152101.6

*Water molecules are not included.