6XKD

Structure of ligand-bound mouse cGAMP hydrolase ENPP1

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 1	polymer	823	94560.2	2	UniProt (G3X9S2) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) UniProt (by SIFTS) (P06802) In PDB	Mus musculus (Mouse)
2	C, D	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	2	In PDB GlyTouCan (G81315DD)
3	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
4	A, B	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
5	A, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
6	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
7	A	{2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid	non-polymer		381.4	1	Chemie (IJE)
8		water	water		18.0	32	Chemie (HOH)

Sequence modifications

A, B: 92 - 905 (UniProt: G3X9S2)

PDB	External Database	Details
Trp 83	-	expression tag
Thr 84	-	expression tag
Asn 85	-	expression tag
Thr 86	-	expression tag
Ser 87	-	expression tag
Gly 88	-	expression tag
Ser 89	-	expression tag
Cys 90	-	expression tag
Arg 91	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	189120.4
Branched	Number of molecules	2
	Total formula weight	1497.4
Non-Polymers*	Number of molecules	10
	Total formula weight	1201.0
All*	Total formula weight	191818.8

*Water molecules are not included.