› 4xrr

X-ray diffraction
2.55Å resolution

Crystal structure of cals8 from micromonospora echinospora (P294S mutant)

Released:
DOI: 10.2210/pdb4xrr/pdb
PDB entry 4xrr coloured by chain, front view.
PDB entry 4xrr coloured by chain, side view.
PDB entry 4xrr coloured by chain, top view.
Source organism: Micromonospora echinospora
Primary publication:
Structural Characterization of CalS8, a TDP-α-D-Glucose Dehydrogenase Involved in Calicheamicin Aminodideoxypentose Biosynthesis.
Singh S, Michalska K, Bigelow L, Endres M, Kharel MK, Babnigg G, Yennamalli RM, Bingman CA, Joachimiak A, Thorson JS, Phillips GN
J Biol Chem 290 26249-58 (2015)
PMID: 26240141

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-185186 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
UDP-glucose/GDP-mannose dehydrogenase C-terminal domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 456 amino acids
Theoretical weight: 48.04 KDa
Source organism: Micromonospora echinospora
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8KNF6 (Residues: 1-453; Coverage: 100%)
Gene name: calS8
Sequence domains:
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

1 bound ligand:
Ligand GOL 1 x GOL
1 modified residue:
Ligand MSE 12 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P21
Unit cell:
a: 70.392Å b: 88.2Å c: 70.936Å
α: 90° β: 103.41° γ: 90°
R-values:
R R work R free
0.185 0.184 0.225
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 citations in other articles

Structural dynamics of a methionine γ-lyase for calicheamicin biosynthesis: Rotation of the conserved tyrosine stacking with pyridoxal phosphate.
Cao et al. (2016)

4 mentions without citation

What method to use for protein-protein docking?
Porter et al. (2019)
3 more