9R2C

CpKRS in complex with inhibitor DDD01038762

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	535	61459.1	2	UniProt (Q5CR27)	Cryptosporidium parvum Iowa II	Lysyl-tRNA synthetase
2	C, F (A, B)	LYSINE	non-polymer		147.2	2	Chemie (LYS) PubChem (641599)
3	D, G (A, B)	2-azanyl-6-cyclopentyl-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one	non-polymer		218.3	2	Chemie (A1JCS)
4	E (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
5	H (B)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS) PubChem (3777159)
6	I, J (A, B)	water	water		18.0	739	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	6
	Total formula weight	949.1
All*	Total formula weight	123867.3

*Water molecules are not included.