4h2x

X-ray diffraction
2.15Å resolution

Crystal structure of engineered Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with carrier protein from Agrobacterium tumefaciens and an analogue of glycyl adenylate

Released:

Function and Biology Details

Reaction catalysed:
ATP + an amino acid + [acyl-carrier-protein] = AMP + diphosphate + an aminoacyl-[acyl-carrier-protein] 
Biochemical function:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
PDBe Complex ID:
PDB-CPX-238496 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Amino acid--[acyl-carrier-protein] ligase 1 Chain: A
Molecule details ›
Chain: A
Length: 346 amino acids
Theoretical weight: 38.21 KDa
Source organism: Bradyrhizobium diazoefficiens USDA 110
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q89VT8 (Residues: 1-326; Coverage: 100%)
Gene name: bll0957
Sequence domains: tRNA synthetase class II core domain (G, H, P, S and T)
Structure domains: Bira Bifunctional Protein; Domain 2
Amino acid--[acyl-carrier-protein] ligase 1 Chain: B
Molecule details ›
Chain: B
Length: 346 amino acids
Theoretical weight: 38.17 KDa
Source organism: Bradyrhizobium diazoefficiens USDA 110
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q89VT8 (Residues: 1-326; Coverage: 100%)
Gene name: bll0957
Sequence domains: tRNA synthetase class II core domain (G, H, P, S and T)
Structure domains: Bira Bifunctional Protein; Domain 2
Aminoacyl carrier protein Chains: C, D
Molecule details ›
Chains: C, D
Length: 103 amino acids
Theoretical weight: 11.17 KDa
Source organism: Agrobacterium fabrum str. C58
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A9CHM9 (Residues: 1-83; Coverage: 100%)
Gene names: AGR_C_4658, Atu2571
Sequence domains: Phosphopantetheine attachment site
Structure domains: ACP-like

Ligands and Environments

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P212121
Unit cell:
a: 99.575Å b: 101.433Å c: 103.044Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.168 0.167 0.198
Expression system: Escherichia coli BL21(DE3)