8W9I

Crystal structure of bacterial prolyl-tRNA synthetase in complex with inhibitor PAA-5

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Proline--tRNA ligase	polymer	579	64194.9	2	UniProt (Q9I502) In PDB	Pseudomonas aeruginosa
2	A, B	(2~{S})-~{N}-[3-(4-azanylquinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide	non-polymer		397.5	2	Chemie (W2H)
3	A, B	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
5		water	water		18.0	138	Chemie (HOH)

Sequence modifications

A, B: 1 - 571 (UniProt: Q9I502)

PDB	External Database	Details
Met -7	-	initiating methionine
Gly -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	128389.8
Non-Polymers*	Number of molecules	11
	Total formula weight	1240.2
All*	Total formula weight	129630.0

*Water molecules are not included.