8C3O

Crystal structure of autotaxin gamma and compound MEY-003

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 2	polymer	888	102023.9	2	UniProt (Q13822) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) In PDB	Homo sapiens (human)	E-NPP 2,Autotaxin,Extracellular lysophospholipase D,LysoPLD
2	C	beta-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 (G15407YE)
3	D	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	A, B	7alpha-hydroxycholesterol	non-polymer		402.7	2	Chemie (5JK)
5	A, B	5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one	non-polymer		363.4	2	Chemie (T8R)
6	A, B	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
7	A, B	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
8	A, B	IODIDE ION	non-polymer		126.9	37	Chemie (IOD)
9	B, A	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
10		water	water		18.0	49	Chemie (HOH)

Sequence modifications

A, B: 1 - 888 (UniProt: Q13822)

PDB	External Database	Details
Ala 54	Asn 54	engineered mutation
Ala 411	Asn 411	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	204047.7
Branched	Number of molecules	2
	Total formula weight	1010.9
Non-Polymers*	Number of molecules	52
	Total formula weight	7029.8
All*	Total formula weight	212088.5

*Water molecules are not included.