7LAL

CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-18 AKA 7-(3-(2,3-DIHYDRO-1H-INDEN-1-YLAMINO)-1-PHENYLPROPYL)-1H-[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	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	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	F, G	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		732.7	2	In PDB GlyTouCan (G32152BH)
5	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	B, E	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
7	B, E	alpha-D-mannopyranose	non-polymer		180.2	4	Chemie (MAN)
8	B, E	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
9	E	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
10	E	7-[(1R)-3-{[(1R)-2,3-dihydro-1H-inden-1-yl]amino}-1-phenylpropyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine	non-polymer		384.5	1	Chemie (XSG)
11		water	water		18.0	3	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	130385.2
Branched	Number of molecules	3
	Total formula weight	1889.8
Non-Polymers*	Number of molecules	13
	Total formula weight	3117.3
All*	Total formula weight	135392.3

*Water molecules are not included.