5DLW

Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA) and lysophosphatidic acid (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	827	95003.6	1	UniProt (Q64610) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) In PDB	Rattus norvegicus (Norway Rat)	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-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1235.1	1	In PDB GlyTouCan (G91845HM)
3	A	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
5	A	(2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate	non-polymer		436.5	1	Chemie (NKP)
6	A	2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid	non-polymer		499.7	1	Chemie (5D5)
7	A	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
8	A	IODIDE ION	non-polymer		126.9	13	Chemie (IOD)
9	A	THIOCYANATE ION	non-polymer		58.1	2	Chemie (SCN)
10	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
11		water	water		18.0	311	Chemie (HOH)

Sequence modifications

A: 36 - 862 (UniProt: Q64610)

PDB	External Database	Details
Ala 410	Asn 410	engineered mutation
Thr 591	Arg 591	cloning artifact
Ala 806	Asn 806	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	95003.6
Branched	Number of molecules	1
	Total formula weight	1235.1
Non-Polymers*	Number of molecules	24
	Total formula weight	3103.2
All*	Total formula weight	99341.9

*Water molecules are not included.