7LAG

CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-14 AKA 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D, F, H	Myeloperoxidase light chain	polymer	105	11974.4	4	UniProt (P05164) In PDB	Homo sapiens (Human)	MPO
2	B, E, G, I	Isoform H14 of Myeloperoxidase	polymer	466	53218.2	4	UniProt (P05164) Pfam (PF03098) In PDB	Homo sapiens (Human)	MPO
3	C, L	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	J, K, M, N	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	4	In PDB GlyTouCan (G82348BZ)
5	G, A, B, F	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
6	I, B, E, G	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
7	G, I, B, E	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)
8	G, I, B, E	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
9	G, I, B, E	7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine	non-polymer		397.4	4	Chemie (XSD)

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	260770.4
Branched	Number of molecules	6
	Total formula weight	5076.7
Non-Polymers*	Number of molecules	21
	Total formula weight	5463.8
All*	Total formula weight	271310.9

*Water molecules are not included.