6F33

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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Ectonucleotide pyrophosphatase/phosphodiesterase family member 3	polymer	749	85369.4	2	UniProt (P97675) Pfam (PF01663)	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 (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, M (A, B)	5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine	non-polymer		506.2	2	Chemie (ZAN)
4	I, J, N, O (A, B)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
5	K, P (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
6	L, Q, R (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)

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	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	170738.7
Branched	Number of molecules	5
	Total formula weight	2122.0
Non-Polymers*	Number of molecules	11
	Total formula weight	2017.8
All*	Total formula weight	174878.5

*Water molecules are not included.