6HCW

Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and a difluoro cyclohexyl chromone ligand

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)	Lysine--tRNA ligase	polymer	535	61459.1	2	UniProt (Q5CR27) Pfam (PF01336) Pfam (PF00152)	Cryptosporidium parvum (strain Iowa II)	Lysyl-tRNA synthetase
2	C, E (A, B)	LYSINE	non-polymer		147.2	2	Chemie (LYS)
3	D, F (A, B)	~{N}-[[4,4-bis(fluoranyl)-1-oxidanyl-cyclohexyl]methyl]-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide	non-polymer		355.3	2	Chemie (FYB)
4	G (B)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS)
5	H, I (A, B)	water	water		18.0	907	Chemie (HOH)

Sequence modifications

A, B: 46 - 559 (UniProt: Q5CR27)

PDB	External Database	Details
Met 25	-	initiating methionine
Ala 26	-	expression tag
His 27	-	expression tag
His 28	-	expression tag
His 29	-	expression tag
His 30	-	expression tag
His 31	-	expression tag
His 32	-	expression tag
Met 33	-	expression tag
Gly 34	-	expression tag
Thr 35	-	expression tag
Leu 36	-	expression tag
Glu 37	-	expression tag
Ala 38	-	expression tag
Gln 39	-	expression tag
Thr 40	-	expression tag
Gln 41	-	expression tag
Gly 42	-	expression tag
Pro 43	-	expression tag
Gly 44	-	expression tag
Ser 45	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	122918.2
Non-Polymers*	Number of molecules	5
	Total formula weight	1127.1
All*	Total formula weight	124045.3

*Water molecules are not included.