4H2T

Crystal structure of Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with cognate carrier protein and an analogue of glycyl adenylate

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	38159.2	2	UniProt (Q89VT8) Pfam (PF00587) In PDB	Bradyrhizobium japonicum	Amino acid:[carrier-protein] ligase [AMP forming] 1, aa:CP ligase 1, Aminoacyl-[acyl-carrier-protein] synthetase 1, L-glycine:[acyl-carrier-protein] ligase 1
2	C, D	Aminoacyl carrier protein 1	polymer	110	12116.8	2	UniProt (Q89VT6) Pfam (PF00550) In PDB	Bradyrhizobium japonicum
3	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	A, B	5'-O-(glycylsulfamoyl)adenosine	non-polymer		403.4	2	Chemie (G5A)
5	B	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
6	C, D	4'-PHOSPHOPANTETHEINE	non-polymer		358.3	2	Chemie (PNS)
7		water	water		18.0	215	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	8
	Total formula weight	1846.4
All*	Total formula weight	102398.4

*Water molecules are not included.