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	A (AAA)	Isoform 2 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	polymer	805	92590.1	1	UniProt (Q64610) Pfam (PF01033) Pfam (PF01663) Pfam (PF01223)	Rattus norvegicus (Norway rat)	E-NPP 2,Autotaxin,Extracellular lysophospholipase D,LysoPLD
2	B (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	C, D (AAA)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
4	E, F (AAA)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
5	G (AAA)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
6	H, I, J, K, L... (AAA)	IODIDE ION	non-polymer		126.9	10	Chemie (IOD)
7	GA, R, S, T, U... (AAA)	THIOCYANATE ION	non-polymer		58.1	9	Chemie (SCN)
8	Z (AAA)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
9	AA, BA, CA, DA, EA... (AAA)	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
10	HA (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	IA (AAA)	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.