4H2V

Crystal structure of Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with glycylated carrier protein

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, J (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	F, K (A, B)	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	2	Chemie (AMP)
5	G, H, I (A)	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
6	L, M (B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
7	N (B)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
8	O (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
9	P (C)	S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate	non-polymer		415.4	1	Chemie (H2V)
10	Q (D)	4'-PHOSPHOPANTETHEINE	non-polymer		358.3	1	Chemie (PNS)
11	R, S (A, B)	water	water		18.0	337	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	13
	Total formula weight	2155.3
All*	Total formula weight	102707.3

*Water molecules are not included.