3MF2

Crystal structure of class II aaRS homologue (Bll0957) complexed with AMP

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)	Bll0957 protein	polymer	346	38159.2	2	UniProt (Q89VT8) Pfam (PF00587)	Bradyrhizobium japonicum	class II aaRS homologue
2	C, G (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D, H (A, B)	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	2	Chemie (AMP) PubChem (16397049) PubChem (16760266) PubChem (224) PubChem (40467049) PubChem (40469468) PubChem (34768) PubChem (44348067) PubChem (83862) PubChem (45358029) PubChem (46874558) PubChem (40459109) PubChem (57358045) PubChem (57879893) PubChem (57879902) PubChem (46875232) PubChem (446048) PubChem (515384) PubChem (638042) PubChem (177678969) PubChem (6083) PubChem (1549371) PubChem (5316444) PubChem (92144436) PubChem (5742864) PubChem (122197642) PubChem (12358354) PubChem (12163610) PubChem (12358355) PubChem (162290139) PubChem (162946266) PubChem (171699505)
4	E, F (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL) PubChem (753)
5	I, J (A, B)	water	water		18.0	170	Chemie (HOH)

Sequence modifications

A, B: 1 - 326 (UniProt: Q89VT8)

PDB	External Database	Details
Met -19	-	expression tag
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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	76318.4
Non-Polymers*	Number of molecules	6
	Total formula weight	1009.4
All*	Total formula weight	77327.9

*Water molecules are not included.