4H2S

Crystal structure of Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with cognate carrier protein and 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	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	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	2	Chemie (AMP)
5	B	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
6	C, D	4'-PHOSPHOPANTETHEINE	non-polymer		358.3	2	Chemie (PNS)
7		water	water		18.0	418	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	7
	Total formula weight	1601.0
All*	Total formula weight	102153.0

*Water molecules are not included.