3NKN

Crystal structure of mouse autotaxin in complex with 14:0-LPA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	polymer	831	95757.4	1	UniProt (Q9R1E6) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) In PDB	Mus musculus (mouse)	ATX, E-NPP 2, Autotaxin, Extracellular lysophospholipase D, LysoPLD
2	B, D	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
3	C	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1073.0	1	In PDB GlyTouCan (G47410OF)
4	A	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
5	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
6	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
7	A	POTASSIUM ION	non-polymer		39.1	1	Chemie (K)
8	A	(2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate	non-polymer		382.4	2	Chemie (NKN)
9	A	THIOCYANATE ION	non-polymer		58.1	2	Chemie (SCN)
10	A	1,2-ETHANEDIOL	non-polymer		62.1	21	Chemie (EDO)
11		water	water		18.0	665	Chemie (HOH)

Sequence modifications

A: 36 - 858 (UniProt: Q9R1E6)

PDB	External Database	Details
-	Lys 571	SEE REMARK 999
-	Val 572	SEE REMARK 999
-	Glu 573	SEE REMARK 999
-	Pro 574	SEE REMARK 999
Ser 859	-	expression tag
Arg 860	-	expression tag
Glu 861	-	expression tag
Asn 862	-	expression tag
Leu 863	-	expression tag
Tyr 864	-	expression tag
Phe 865	-	expression tag
Gln 866	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	95757.4
Branched	Number of molecules	3
	Total formula weight	1921.8
Non-Polymers*	Number of molecules	30
	Total formula weight	2417.4
All*	Total formula weight	100096.6

*Water molecules are not included.