› 2l65

Solution NMR

HADDOCK calculated model of the complex of the resistance protein CalC and Calicheamicin-Gamma

Released:
DOI: 10.2210/pdb2l65/pdb
PDB entry 2l65 coloured by chain, ensemble of 4 models, front view.
PDB entry 2l65 coloured by chain, ensemble of 4 models, side view.
PDB entry 2l65 coloured by chain, ensemble of 4 models, top view.
Source organism: Micromonospora echinospora
Primary publication:
Structural insight into the self-sacrifice mechanism of enediyne resistance.
Singh S, Hager MH, Zhang C, Griffith BR, Lee MS, Hallenga K, Markley JL, Thorson JS
ACS Chem Biol 1 451-60 (2006)
PMID: 17168523

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-185178 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Activator of Hsp90 ATPase homologue 1-like C-terminal domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 155 amino acids
Theoretical weight: 17.92 KDa
Source organism: Micromonospora echinospora
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8KNF0 (Residues: 27-181; Coverage: 86%)
Gene name: calC
Sequence domains: Activator of Hsp90 ATPase homolog 1-like protein
Structure domains: Alpha-D-Glucose-1,6-Bisphosphate; Chain A, domain 4

Ligands and Environments

Carbohydrate polymer : NEW Components: DAG, EMP
Ligand DAG 1 x DAG
Ligand EMP 1 x EMP
4 bound ligands:
Ligand DSR 1 x DSR
Ligand HIB 1 x HIB
Ligand MRP 1 x MRP
Ligand MTC 1 x MTC
No modified residues

Experiments and Validation Details

Entry percentile scores
Refinement method: simulated annealing
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

Natural products to drugs: natural product-derived compounds in clinical trials.
Butler MS. (2008)
4 more

1 mention without citation

Structure-guided functional characterization of enediyne self-sacrifice resistance proteins, CalU16 and CalU19.
Elshahawi et al. (2014)