8R2A

CpKRS complexed with lysine and an inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, D, C, B)	Lysine--tRNA ligase	polymer	535	61459.1	4	UniProt (Q5CR27) Pfam (PF01336) Pfam (PF00152) UniProt (by SIFTS) (A0A7S7RG57)	Cryptosporidium parvum	Lysyl-tRNA synthetase
2	E, I, M, S (A, D, C, B)	LYSINE	non-polymer		147.2	4	Chemie (LYS)
3	F, J, N, T (A, D, C, B)	2-azanyl-4-(trifluoromethyl)-6-[[(1~{R},3~{S})-3-(trifluoromethyl)cyclohexyl]methyl]-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one	non-polymer		382.3	4	Chemie (XLQ)
4	G, K, O (A, D, C)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
5	H, L, P, U (A, D, C, B)	DIMETHYL SULFOXIDE	non-polymer		78.1	4	Chemie (DMS)
6	Q, R (C)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
7	V, W, X, Y (A, D, C, B)	water	water		18.0	635	Chemie (HOH)

Sequence modifications

A, D, C, 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	4
	Total formula weight	245836.4
Non-Polymers*	Number of molecules	17
	Total formula weight	2898.9
All*	Total formula weight	248735.3

*Water molecules are not included.