8I2M

The crystal structure of homodimeric E. coli tryptophanyl-tRNA synthetase bound with niraparib at one of its two active sites

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Tryptophan--tRNA ligase	polymer	340	38373.7	2	UniProt (P00954) Pfam (PF00579) In PDB	Escherichia coli K-12	Tryptophanyl-tRNA synthetase,TrpRS
2	A	2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide	non-polymer		320.4	1	Chemie (3JD)
3	A, B	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
4	B	TRYPTOPHANYL-5'AMP	non-polymer		533.4	1	Chemie (TYM)
5		water	water		18.0	349	Chemie (HOH)

Sequence modifications

A, B: 1 - 333 (UniProt: P00954)

PDB	External Database	Details
Arg 334	-	expression tag
His 335	-	expression tag
His 336	-	expression tag
His 337	-	expression tag
His 338	-	expression tag
His 339	-	expression tag
His 340	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	76747.5
Non-Polymers*	Number of molecules	5
	Total formula weight	1142.0
All*	Total formula weight	77889.5

*Water molecules are not included.