7Z3L

Autotaxin in complex with hybrid compound ziritaxestat (GLPG1690)

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	AAA	Isoform 2 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	polymer	805	92590.1	1	UniProt (Q64610) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223) In PDB	Rattus norvegicus (Norway rat)	E-NPP 2,Autotaxin,Extracellular lysophospholipase D,LysoPLD
2	AcA	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose	branched		1153.0	1	In PDB
3	AAA	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
4	AAA	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
5	AAA	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
6	AAA	IODIDE ION	non-polymer		126.9	10	Chemie (IOD)
7	AAA	THIOCYANATE ION	non-polymer		58.1	9	Chemie (SCN)
8	AAA	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
9	AAA	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
10	AAA	2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile	non-polymer		588.7	1	Chemie (7NB)
11		water	water		18.0	104	Chemie (HOH)

Sequence modifications

AAA: 56 - 860 (UniProt: Q64610)

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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	92590.1
Branched	Number of molecules	1
	Total formula weight	1153.0
Non-Polymers*	Number of molecules	32
	Total formula weight	3569.3
All*	Total formula weight	97312.5

*Water molecules are not included.