12PL

Crystal Structure of serine/threonine-protein kinase (AEK1) from Trypanosoma cruzi in complex with LMS

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Serine/threonine protein kinase, putative	polymer	361	41649.3	2	UniProt (Q4E2L0) Pfam (PF00069)	Trypanosoma cruzi
2	C, D (A, B)	[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE	non-polymer		346.3	2	Chemie (LMS) PubChem (97576)

Sequence modifications

A, B: 123 - 474 (UniProt: Q4E2L0)

PDB	External Database	Details
Met 122	-	initiating methionine
Ile 185	Thr 185	engineered mutation
Phe 227	Val 227	engineered mutation
Ser 314	Asn 314	engineered mutation
Leu 475	-	expression tag
Glu 476	-	expression tag
His 477	-	expression tag
His 478	-	expression tag
His 479	-	expression tag
His 480	-	expression tag
His 481	-	expression tag
His 482	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	83298.6
Non-Polymers*	Number of molecules	2
	Total formula weight	692.6
All*	Total formula weight	83991.2

*Water molecules are not included.