6F2Y

Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with Ap4A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Ectonucleotide pyrophosphatase/phosphodiesterase family member 3	polymer	749	85369.4	2	UniProt (P97675) Pfam (PF01663) In PDB	Rattus norvegicus (Rat)	E-NPP 3,B10,Phosphodiesterase I beta,PD-Ibeta,Phosphodiesterase I/nucleotide pyrophosphatase 3,RB13-6 antigen
2	C, D, E, G	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	4	In PDB GlyTouCan (G42666HT)
3	F	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
4	A, B	BIS(ADENOSINE)-5'-TETRAPHOSPHATE	non-polymer		836.4	2	Chemie (B4P)
5	A, B	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
6	A, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
7	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	7	Chemie (NAG)
8		water	water		18.0	431	Chemie (HOH)

Sequence modifications

A, B: 140 - 875 (UniProt: P97675)

PDB	External Database	Details
Ala 136	-	expression tag
Glu 137	-	expression tag
Thr 138	-	expression tag
Gly 139	-	expression tag
Val 201	Met 201	variant
Ala 206	Thr 206	engineered mutation
Asn 596	Ser 596	variant
Arg 597	Gly 597	variant
Gly 876	-	expression tag
Thr 877	-	expression tag
Lys 878	-	expression tag
His 879	-	expression tag
His 880	-	expression tag
His 881	-	expression tag
His 882	-	expression tag
His 883	-	expression tag
His 884	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	170738.7
Branched	Number of molecules	5
	Total formula weight	2284.1
Non-Polymers*	Number of molecules	15
	Total formula weight	3563.0
All*	Total formula weight	176585.9

*Water molecules are not included.