4H2Y

Crystal structure of engineered Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with carrier protein from Agrobacterium tumefaciens and ATP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Amino acid--[acyl-carrier-protein] ligase 1	polymer	346	38173.1	2	UniProt (Q89VT8) UniProt (Q7CWR3) Pfam (PF00587) In PDB	Bradyrhizobium japonicum	Aminoacyl-[acyl-carrier-protein] synthetase 1
2	C, D	Aminoacyl carrier protein	polymer	103	11165.6	2	UniProt (A9CHM9) Pfam (PF00550) In PDB	Agrobacterium tumefaciens
3	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	A, B	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	2	Chemie (ATP)
5	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
6	C, D	4'-PHOSPHOPANTETHEINE	non-polymer		358.3	2	Chemie (PNS)
7		water	water		18.0	371	Chemie (HOH)

Sequence modifications

A, B: 1 - 220 (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

A, B: 221 - 231 (UniProt: Q7CWR3)
A, B: 232 - 326 (UniProt: Q89VT8)
C, D: 1 - 83 (UniProt: A9CHM9)

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	4
	Total formula weight	98677.5
Non-Polymers*	Number of molecules	7
	Total formula weight	1886.2
All*	Total formula weight	100563.7

*Water molecules are not included.