8S0V

Crystal structure of Cryptosporidium parvum - Trypanosoma cruzi mutant lysyl tRNA synthetase in complex with inhibitor

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 (A, B)	Lysine--tRNA ligase	polymer	536	61697.3	2	UniProt (Q5CR27) Pfam (PF01336) Pfam (PF00152)	Cryptosporidium parvum Iowa	Lysyl-tRNA synthetase
2	C, I (A, B)	~{N}7-cyclopentyl-5,6,8-tris(fluoranyl)-2-methyl-quinazoline-4,7-diamine	non-polymer		296.3	2	Chemie (A1H4X)
3	D, E, J (A, B)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
4	F, K, L (A, B)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	3	Chemie (TRS)
5	G (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6	H, M (A, B)	LYSINE	non-polymer		147.2	2	Chemie (LYS)
7	N, O (A, B)	water	water		18.0	754	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 24	-	initiating methionine
Gly 25	-	expression tag
Ser 26	-	expression tag
Ser 27	-	expression tag
His 28	-	expression tag
His 29	-	expression tag
His 30	-	expression tag
His 31	-	expression tag
His 32	-	expression tag
His 33	-	expression tag
Ser 34	-	expression tag
Ser 35	-	expression tag
Gly 36	-	expression tag
Glu 37	-	expression tag
Asn 38	-	expression tag
Leu 39	-	expression tag
Tyr 40	-	expression tag
Phe 41	-	expression tag
Gln 42	-	expression tag
Gly 43	-	expression tag
His 44	-	expression tag
Met 45	-	expression tag
Leu 290	Ile 290	engineered mutation
Ser 309	Ala 309	engineered mutation
Val 310	Met 310	engineered mutation
Leu 538	Ile 538	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	123394.5
Non-Polymers*	Number of molecules	11
	Total formula weight	1625.7
All*	Total formula weight	125020.3

*Water molecules are not included.