› 4jql

X-ray diffraction
1.72Å resolution

Synthesis of Benzoquinone-Ansamycin-Inspired Macrocyclic Lactams from Shikimic Acid

Released:
DOI: 10.2210/pdb4jql/pdb
PDB entry 4jql coloured by chain, front view.
PDB entry 4jql coloured by chain, side view.
PDB entry 4jql coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Synthesis of benzoquinone ansamycin-inspired macrocyclic lactams from shikimic acid.
Jeso V, Iqbal S, Hernandez P, Cameron MD, Park H, LoGrasso PV, Micalizio GC
Angew Chem Int Ed Engl 52 4800-4 (2013)
PMID: 23554224

Function and Biology Details

Reaction catalysed: 
ATP + H(2)O = ADP + phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139817 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Heat shock protein HSP 90-alpha Chain: A
Molecule details ›
Chain: A
Length: 249 amino acids
Theoretical weight: 27.96 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P07900 (Residues: 9-236; Coverage: 31%)
Gene names: HSP90A, HSP90AA1, HSPC1, HSPCA
Sequence domains: Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase
Structure domains: Histidine kinase-like ATPase, C-terminal domain

Ligands and Environments

2 bound ligands:
Ligand VJ6 1 x VJ6
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P21
Unit cell:
a: 53.37Å b: 44.49Å c: 53.92Å
α: 90° β: 114.8° γ: 90°
R-values:
R R work R free
0.169 0.168 0.196
Expression system: Escherichia coli

Quick links

Citations

5 citation in other articles

Reaction design, discovery, and development as a foundation to function-oriented synthesis.
Micalizio et al. (2015)
4 more