› 6mlk

X-ray diffraction
2.45Å resolution

Structure of Thioesterase from DEBS with a thioesterase-specific antibody

Released:
DOI: 10.2210/pdb6mlk/pdb
PDB entry 6mlk coloured by chain, front view.
PDB entry 6mlk coloured by chain, side view.
PDB entry 6mlk coloured by chain, top view.
Source organisms:
Primary publication:
Discovery and Characterization of a Thioesterase-Specific Monoclonal Antibody That Recognizes the 6-Deoxyerythronolide B Synthase.
Li X, Sevillano N, La Greca F, Hsu J, Mathews II, Matsui T, Craik CS, Khosla C
Biochemistry 57 6201-6208 (2018)
PMID: 30289692

Function and Biology Details

Reaction catalysed: 
Propanoyl-CoA + 6 (2S)-methylmalonyl-CoA + 6 NADPH = 6-deoxyerythronolide B + 7 CoA + 6 CO(2) + H(2)O + 6 NADP(+)
Biochemical function:
  • not assigned
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-232127 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
6-deoxyerythronolide-B synthase EryA3, modules 5 and 6 Chain: A
Molecule details ›
Chain: A
Length: 300 amino acids
Theoretical weight: 32.11 KDa
Source organism: Saccharopolyspora erythraea
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q03133 (Residues: 2893-3172; Coverage: 9%)
Gene name: eryA
Sequence domains: Thioesterase domain
Structure domains: alpha/beta hydrolase
Light chain of Fab 3A6 Chain: L
Molecule details ›
Chain: L
Length: 235 amino acids
Theoretical weight: 25.77 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
Structure domains: Immunoglobulins
Heavy chain of Fab 3A6 Chain: H
Molecule details ›
Chain: H
Length: 251 amino acids
Theoretical weight: 26.52 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21

Ligands and Environments

1 bound ligand:
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: R32
Unit cell:
a: 172.58Å b: 172.58Å c: 159.05Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.178 0.175 0.235
Expression system: Escherichia coli BL21

Quick links

Citations

2 citation in other articles

Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal an Extended Conformation During Ketoreduction.
Cogan et al. (2020)
1 more

4 mentions without citation

Affinity maturation is required for pathogenic monovalent IgG4 autoantibody development in myasthenia gravis.
Fichtner et al. (2020)
3 more