4C1M

Myeloperoxidase in complex with the revesible inhibitor HX1

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, B)	MYELOPEROXIDASE LIGHT CHAIN	polymer	108	12331.8	2	UniProt (P05164)	HOMO SAPIENS (HUMAN)	MPO
2	C, D (C, D)	MYELOPEROXIDASE HEAVY CHAIN	polymer	467	53321.3	2	UniProt (P05164) Pfam (PF03098)	HOMO SAPIENS (HUMAN)	MPO
3	E, F (E, F)	alpha-D-mannopyranose-(1-4)-[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 (G70185OM)
4	G, I (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
5	H, J (A, B)	2-{[3,5-BIS(TRIFLUOROMETHYL)BENZYL]AMINO}-N-HYDROXY-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXAMIDE	non-polymer		396.2	2	Chemie (NIH)
6	K, O (B, C)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
7	L, T (C, D)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
8	M, U (C, D)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
9	N, V (C, D)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
10	P, Q, W, X, Y (C, D)	ACETATE ION	non-polymer		59.0	5	Chemie (ACT)
11	AA, R, S, Z (D, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)
12	BA, CA, DA, EA (A, B, C, D)	water	water		18.0	664	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	131306.2
Branched	Number of molecules	2
	Total formula weight	2113.9
Non-Polymers*	Number of molecules	21
	Total formula weight	3732.9
All*	Total formula weight	137153.1

*Water molecules are not included.