9QGA

Structure of native leukocyte myeloperoxidase in complex with a truncated version of the Staphylococcal Peroxidase Inhibitor SPIN and bromide 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 (A, C)	Myeloperoxidase light chain	polymer	114	12894.5	2	UniProt (P05164)	Homo sapiens (human)
2	C, D (E, F)	Myeloperoxidase inhibitor SPIN	polymer	60	6922.7	2	UniProt (Q2G0X2)	Staphylococcus aureus
3	E, F (B, D)	Myeloperoxidase heavy chain	polymer	467	53321.3	2	UniProt (P05164) Pfam (PF03098)	Homo sapiens (human)
4	G (G)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
5	H, I (H, I)	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		894.8	2	In PDB GlyTouCan (G00395TQ)
6	J, O (A, C)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
7	AA, AB, BA, BB, CA... (B, D, A, C)	BROMIDE ION	non-polymer		79.9	46	Chemie (BR)
8	PA, QA, S (D, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
9	JB, OA (D, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
10	KB, LB, MB, NB, OB... (A, C, E, F, B...)	water	water		18.0	738	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	146276.9
Branched	Number of molecules	3
	Total formula weight	2214.0
Non-Polymers*	Number of molecules	53
	Total formula weight	5652.3
All*	Total formula weight	154143.3

*Water molecules are not included.