6WEV

Crystal structures of human E-NPP 1: bound to N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (AbA, BbB)	Ectonucleotide pyrophosphatase/phosphodiesterase family member 1	polymer	925	105058.4	2	UniProt (P22413) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223)	Homo sapiens (Human)	E-NPP 1,Membrane component chromosome 6 surface marker 1,Phosphodiesterase I/nucleotide pyrophosphatase 1,Plasma-cell membrane glycoprotein PC-1
2	C (AcA)	alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	1	In PDB GlyTouCan (G48068RF)
3	D, F (AgA, BcB)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	2	In PDB GlyTouCan (G15407YE)
4	E, G (AkA, BfB)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
5	H, M, N (AbA, BbB)	ZINC ION	non-polymer		65.4	3	Chemie (ZN)
6	I (AbA)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
7	J, O (AbA, BbB)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
8	K, P (AbA, BbB)	N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide	non-polymer		383.5	2	Chemie (TZS)
9	L, Q (AbA, BbB)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
10	R, S (AbA, BbB)	water	water		18.0	20	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	210116.8
Branched	Number of molecules	5
	Total formula weight	2770.6
Non-Polymers*	Number of molecules	10
	Total formula weight	1635.6
All*	Total formula weight	214523.0

*Water molecules are not included.