6WYD

CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-12 (AKA; 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyrid

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	Myeloperoxidase heavy chain	polymer	467	53305.3	4	UniProt (P05164) Pfam (PF03098) In PDB	Homo sapiens (Human)	MPO
3	A, E, F, I, B...	CHLORIDE ION	non-polymer		35.5	8	Chemie (CL)
4	E, I, B, G	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	19	Chemie (NAG)
5	E, I, B, G	alpha-L-fucopyranose	non-polymer		164.2	4	Chemie (FUC)
6	E, I, B, G	HEME C	non-polymer		618.5	4	Chemie (HEC)
7	I, B, G, E	beta-D-mannopyranose	non-polymer		180.2	4	Chemie (BMA)
8	I, B, G, E	alpha-D-mannopyranose	non-polymer		180.2	8	Chemie (MAN)
9	E, B, G, H	7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine	non-polymer		225.2	4	Chemie (7GD)
10	E, I, B, G	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
11		water	water		18.0	260	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	261118.7
Non-Polymers*	Number of molecules	55
	Total formula weight	10840.4
All*	Total formula weight	271959.1

*Water molecules are not included.