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, C (A, D)	Myeloperoxidase light chain	polymer	105	11974.4	2	UniProt (P05164)	Homo sapiens (Human)	MPO
2	B, D (B, E)	Isoform H14 of Myeloperoxidase	polymer	466	53218.2	2	UniProt (P05164) Pfam (PF03098)	Homo sapiens (Human)	MPO
3	E, F (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	G, Q (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	H, V (B, E)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
6	I, J, K, W, X... (B, E)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)
7	L, Z (B, E)	alpha-L-fucopyranose	non-polymer		164.2	2	Chemie (FUC)
8	M, S (B, E)	beta-D-mannopyranose	non-polymer		180.2	2	Chemie (BMA)
9	N, O, T, U (B, E)	alpha-D-mannopyranose	non-polymer		180.2	4	Chemie (MAN)
10	AA, P (E, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
11	BA, R (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	CA, DA, EA (B, D, E)	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.