7Z3K

Autotaxin in complex with orthosteric site-binder CpdA

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 (AbA)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		383.3	1	In PDB GlyTouCan (G90333CG)
3	C (AAA)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
4	D, E (AAA)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
5	F (AAA)	7alpha-hydroxycholesterol	non-polymer		402.7	1	Chemie (5JK)
6	G (AAA)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
7	FA, GA, H, I, IA... (AAA)	IODIDE ION	non-polymer		126.9	17	Chemie (IOD)
8	CA, O, P, Q, R... (AAA)	THIOCYANATE ION	non-polymer		58.1	6	Chemie (SCN)
9	T, U (AAA)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
10	AA, BA, EA, HA, V... (AAA)	GLYCEROL	non-polymer		92.1	9	Chemie (GOL)
11	DA (AAA)	[(2~{S},4~{R})-4-[2-[(3,5-dimethylphenyl)amino]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-methyl-piperidin-1-yl]-(6-fluoranyl-1~{H}-benzotriazol-5-yl)methanone	non-polymer		500.6	1	Chemie (IA0)
12	QA (AAA)	water	water		18.0	527	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	383.3
Non-Polymers*	Number of molecules	40
	Total formula weight	4676.0
All*	Total formula weight	97649.5

*Water molecules are not included.