7NI1

CRYSTAL STRUCTURE OF NATIVE HUMAN MYELOPEROXIDASE IN COMPLEX WITH CPD 9

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Myeloperoxidase	polymer	105	11974.4	2	UniProt (P05164) In PDB	Homo sapiens (Human)	MPO
2	C, D	Myeloperoxidase	polymer	466	53234.2	2	UniProt (P05164) Pfam (PF03098) In PDB	Homo sapiens (Human)	MPO
3	E, F	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		894.8	2	In PDB GlyTouCan (G42466VF)
4	A, B, C, D	CHLORIDE ION	non-polymer		35.5	7	Chemie (CL)
5	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
6	C, D	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
7	C, D	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)
8	C, D	(S)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one	non-polymer		362.4	2	Chemie (UEB)
9	C, D	beta-D-mannopyranose	non-polymer		180.2	2	Chemie (BMA)
10		water	water		18.0	643	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	130417.2
Branched	Number of molecules	2
	Total formula weight	1789.6
Non-Polymers*	Number of molecules	19
	Total formula weight	3531.3
All*	Total formula weight	135738.2

*Water molecules are not included.