6F30

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

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	85370.3	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, F, G	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	5	In PDB GlyTouCan (G42666HT)
3	H	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	URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE	non-polymer		607.4	2	Chemie (UD1)
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	5	Chemie (NAG)
8		water	water		18.0	610	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
Glu 585	Gln 585	conflict
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	170740.7
Branched	Number of molecules	6
	Total formula weight	2708.5
Non-Polymers*	Number of molecules	13
	Total formula weight	2662.5
All*	Total formula weight	176111.8

*Water molecules are not included.