9QJ3

Structure of native leukocyte myeloperoxidase in complex with a truncated version of the Staphylococcal Peroxidase Inhibitor SPIN and iodide 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, B (B, D)	Myeloperoxidase heavy chain	polymer	467	53321.3	2	UniProt (P05164) Pfam (PF03098)	Homo sapiens (human)
2	C, D (A, C)	Myeloperoxidase light chain	polymer	114	12894.5	2	UniProt (P05164)	Homo sapiens (human)
3	E, F (E, F)	Myeloperoxidase inhibitor SPIN	polymer	60	6922.7	2	UniProt (Q2G0X2)	Staphylococcus aureus
4	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)
5	I (I)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1098.0	1	In PDB
6	L (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	1	In PDB GlyTouCan (G82348BZ)
7	AA, AB, AC, AD, BA... (B, D, F, A, C...)	IODIDE ION	non-polymer		126.9	89	Chemie (IOD)
8	BB, KC (B, D)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
9	CB, LC (D, A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
10	BD, CD, DD, ED, FD... (B, D, A, C, E...)	water	water		18.0	273	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	146276.9
Branched	Number of molecules	6
	Total formula weight	3852.6
Non-Polymers*	Number of molecules	93
	Total formula weight	12607.6
All*	Total formula weight	162737.1

*Water molecules are not included.