7ZOG

Crystal structure of Cryptosporidium parvum -Plasmodium falciparum mutant lysyl tRNA synthetase in complex with 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, B, C, D)	Lysine-tRNA ligase	polymer	535	61464.1	4	UniProt (Q5CR27) Pfam (PF01336) Pfam (PF00152)	Cryptosporidium parvum Iowa II	Lysyl-tRNA synthetase
2	E, I, L, P (A, B, C, D)	LYSINE	non-polymer		147.2	4	Chemie (LYS)
3	F, K, O, R (A, B, C, D)	8-[[4-[2-[2-[2-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]sulfonylamino]-~{N}-(cyclohexylmethyl)-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide	non-polymer		703.8	4	Chemie (JE5)
4	G, H, J, M, N... (A, B, C, D)	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
5	S, T, U, V (A, B, C, D)	water	water		18.0	1465	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
Thr 272	Pro 272	engineered mutation
Val 293	Asn 293	engineered mutation
Ser 309	Ala 309	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	245856.4
Non-Polymers*	Number of molecules	14
	Total formula weight	3956.4
All*	Total formula weight	249812.8

*Water molecules are not included.