› 1q0r

X-ray diffraction
1.45Å resolution

Crystal structure of aclacinomycin methylesterase (RdmC) with bound product analogue, 10-decarboxymethylaclacinomycin T (DcmaT)

Released:
DOI: 10.2210/pdb1q0r/pdb
PDB entry 1q0r coloured by chain, front view.
PDB entry 1q0r coloured by chain, side view.
PDB entry 1q0r coloured by chain, top view.
Source organism: Streptomyces purpurascens
Primary publication:
Crystal structure of aclacinomycin methylesterase with bound product analogues: implications for anthracycline recognition and mechanism.
Jansson A, Niemi J, Mäntsälä P, Schneider G
J Biol Chem 278 39006-13 (2003)
PMID: 12878604

Function and Biology Details

Reaction catalysed: 
Aclacinomycin T + H(2)O = 15-demethylaclacinomycin T + methanol
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-176214 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aclacinomycin methylesterase RdmC Chain: A
Molecule details ›
Chain: A
Length: 298 amino acids
Theoretical weight: 31.83 KDa
Source organism: Streptomyces purpurascens
Expression system: Streptomyces lividans TK24
UniProt:
  • Canonical: Q54528 (Residues: 1-298; Coverage: 100%)
Gene name: rdmC
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

3 bound ligands:
Ligand AKT 1 x AKT
Ligand SO4 1 x SO4
Ligand 1PE 1 x 1PE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X11
Spacegroup: P21
Unit cell:
a: 38.2Å b: 84.7Å c: 44.3Å
α: 90° β: 99.99° γ: 90°
R-values:
R R work R free
0.165 0.163 0.187
Expression system: Streptomyces lividans TK24

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Citations

3 review citations

Post-PKS tailoring steps in natural product-producing actinomycetes from the perspective of combinatorial biosynthesis.
Olano et al. (2010)
2 more

4 mentions without citation

Protein functional surfaces: global shape matching and local spatial alignments of ligand binding sites.
Binkowski et al. (2008)
3 more