7LAE

CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-4

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D	Myeloperoxidase light chain	polymer	105	11974.4	2	UniProt (P05164) In PDB	Homo sapiens (Human)	MPO
2	B, E	Isoform H14 of Myeloperoxidase	polymer	466	53218.2	2	UniProt (P05164) Pfam (PF03098) In PDB	Homo sapiens (Human)	MPO
3	C, F	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
4	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	B, E	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
6	B, E	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)
7	B, E	alpha-L-fucopyranose	non-polymer		164.2	2	Chemie (FUC)
8	B, E	beta-D-mannopyranose	non-polymer		180.2	2	Chemie (BMA)
9	B, E	alpha-D-mannopyranose	non-polymer		180.2	4	Chemie (MAN)
10	E, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
11	E, B	7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine	non-polymer		309.3	2	Chemie (XRV)
12		water	water		18.0	4	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	130385.2
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	22
	Total formula weight	4739.1
All*	Total formula weight	135973.2

*Water molecules are not included.