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	Amino acid--[acyl-carrier-protein] ligase 1	polymer	346	38159.2	2	UniProt (Q89VT8) Pfam (PF00587) In PDB	Bradyrhizobium japonicum	Aminoacyl-[acyl-carrier-protein] synthetase 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	A	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
6	B	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
7	B	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
8	B	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
9	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	D	4'-PHOSPHOPANTETHEINE	non-polymer		358.3	1	Chemie (PNS)
11		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.