4H2X

Crystal structure of engineered Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with carrier protein from Agrobacterium tumefaciens 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 (A)	Amino acid--[acyl-carrier-protein] ligase 1	polymer	346	38205.1	1	UniProt (Q89VT8) UniProt (Q7CWR3) Pfam (PF00587)	Bradyrhizobium japonicum	Aminoacyl-[acyl-carrier-protein] synthetase 1
2	B (B)	Amino acid--[acyl-carrier-protein] ligase 1	polymer	346	38173.1	1	UniProt (Q89VT8) UniProt (Q7CWR3) Pfam (PF00587)	Bradyrhizobium japonicum	Aminoacyl-[acyl-carrier-protein] synthetase 1
3	C, D (C, D)	Aminoacyl carrier protein	polymer	103	11165.6	2	UniProt (A9CHM9) Pfam (PF00550)	Agrobacterium tumefaciens
4	E, H (A, B)	5'-O-(glycylsulfamoyl)adenosine	non-polymer		403.4	2	Chemie (G5A)
5	F, I (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
6	G (B)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
7	J, K (C, D)	4'-PHOSPHOPANTETHEINE	non-polymer		358.3	2	Chemie (PNS)
8	L, M, N, O (A, B, C, D)	water	water		18.0	347	Chemie (HOH)

Sequence modifications

A: 1 - 220 (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

A: 221 - 231 (UniProt: Q7CWR3)
A: 232 - 326 (UniProt: Q89VT8)
B: 1 - 220 (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

B: 221 - 231 (UniProt: Q7CWR3)
B: 232 - 326 (UniProt: Q89VT8)
C, D: 1 - 83 (UniProt: A9CHM9)

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	98709.5
Non-Polymers*	Number of molecules	7
	Total formula weight	1659.8
All*	Total formula weight	100369.2

*Water molecules are not included.