4XEO

Crystal Structure of human AlaRS catalytic domain with R329H mutation

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)	Alanine--tRNA ligase, cytoplasmic	polymer	475	53295.1	2	UniProt (P49588) Pfam (PF01411)	Homo sapiens (Human)	Alanyl-tRNA synthetase,AlaRS,Renal carcinoma antigen NY-REN-42
2	C, I (A, B)	'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE	non-polymer		417.4	2	Chemie (A5A)
3	D, E, J, K (A, B)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
4	F, G, L, M (A, B)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
5	H, N (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	O, P (A, B)	water	water		18.0	810	Chemie (HOH)

Sequence modifications

A, B: 1 - 455 (UniProt: P49588)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
His 329	Arg 329	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	106590.3
Non-Polymers*	Number of molecules	12
	Total formula weight	1636.0
All*	Total formula weight	108226.3

*Water molecules are not included.