4H2U

Crystal structure of Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with cognate carrier protein 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 (A, B)	Amino acid--[acyl-carrier-protein] ligase 1	polymer	346	38159.2	2	UniProt (Q89VT8) Pfam (PF00587)	Bradyrhizobium japonicum	Aminoacyl-[acyl-carrier-protein] synthetase 1
2	C, D (C, D)	Aminoacyl carrier protein 1	polymer	110	12116.8	2	UniProt (Q89VT6) Pfam (PF00550)	Bradyrhizobium japonicum
3	E, H (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	F, I (A, B)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	2	Chemie (ATP)
5	G, K (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	J (B)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
7	L (B)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
8	M, N (C, D)	4'-PHOSPHOPANTETHEINE	non-polymer		358.3	2	Chemie (PNS)
9	O, P, Q (A, B, D)	water	water		18.0	339	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

C, D: 1 - 90 (UniProt: Q89VT6)

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	100552.0
Non-Polymers*	Number of molecules	10
	Total formula weight	2065.6
All*	Total formula weight	102617.6

*Water molecules are not included.