9R32

CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Cryptosporidium parvum COMPLEXED WITH L-LYSINE AND INHIBITOR DDD01887015

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, B, C, D (A, B, C, D)	Lysine--tRNA ligase	polymer	535	61459.1	4	UniProt (Q5CR27)	Cryptosporidium parvum Iowa II	Lysyl-tRNA synthetase
2	E, M, R, Z (A, B, C, D)	2-azanyl-6-[[(1~{S},3~{S})-1-oxidanyl-3-(trifluoromethyl)cyclohexyl]methyl]-4-(trifluoromethyl)-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one	non-polymer		398.3	4	Chemie (A1JCT)
3	F, K, U, V (A, C)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
4	AA, G, N, T (D, A, B, C)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	4	Chemie (TRS) PubChem (3777159)
5	BA, CA, H, I, J... (D, A, B, C)	GLYCEROL	non-polymer		92.1	9	Chemie (GOL) PubChem (753)
6	DA, L, Q, Y (D, A, B, C)	LYSINE	non-polymer		147.2	4	Chemie (LYS) PubChem (641599)
7	X (C)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
8	EA, FA, GA, HA (A, B, C, D)	water	water		18.0	1376	Chemie (HOH)

Sequence modifications

A, B, C, D: 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	26
	Total formula weight	3843.7
All*	Total formula weight	249680.1

*Water molecules are not included.