6LEH

Crystal structure of Autotaxin in complex with an inhibitor

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	835	96212.0	1	UniProt (Q9R1E6) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) In PDB	Mus musculus (Mouse)	E-NPP 2,Autotaxin,Extracellular lysophospholipase D,LysoPLD
2	B	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-alpha-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 (G40296AW)
3	C	alpha-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 (G62182OO)
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	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
9	A	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
10	A	1,2-ETHANEDIOL	non-polymer		62.1	17	Chemie (EDO)
11	A	ethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxidanylidene-imidazo[1,2-a]pyrimidin-8-yl]ethanoate	non-polymer		345.8	1	Chemie (EAR)
12		water	water		18.0	233	Chemie (HOH)

Sequence modifications

A: 36 - 858 (UniProt: Q9R1E6)

PDB	External Database	Details
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	96212.0
Branched	Number of molecules	2
	Total formula weight	1659.5
Non-Polymers*	Number of molecules	26
	Total formula weight	1800.9
All*	Total formula weight	99672.4

*Water molecules are not included.