3HXZ

Crystal Structure of catalytic fragment of E. coli AlaRS G237A in complex with AlaSA

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	Alanyl-tRNA synthetase	polymer	441	49938.1	4	UniProt (P00957) Pfam (PF01411) In PDB	Escherichia coli	Alanine-tRNA ligase, AlaRS
2	A, B, C, D	'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE	non-polymer		417.4	4	Chemie (A5A)
3	A, B	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	4	Chemie (EPE)
4	A, B, C, D	2-HYDROXYETHYL DISULFIDE	non-polymer		154.3	8	Chemie (HED)
5		water	water		18.0	2426	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 441 (UniProt: P00957)

PDB	External Database	Details
Leu 104	His 105	engineered mutation
Leu 108	Gln 109	engineered mutation
Leu 112	Glu 113	engineered mutation
Ala 237	Gly 238	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	199752.3
Non-Polymers*	Number of molecules	16
	Total formula weight	3856.8
All*	Total formula weight	203609.1

*Water molecules are not included.