› 3pyg

X-ray diffraction
1.99Å resolution

Mycobacterium tuberculosis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (IspE) in complex with ADP

Released:
DOI: 10.2210/pdb3pyg/pdb
PDB entry 3pyg coloured by chain, front view.
PDB entry 3pyg coloured by chain, side view.
PDB entry 3pyg coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Entry authors: Shan S, Chen XH, Liu T, Zhao HC, Rao ZH, Lou ZY

Function and Biology Details

Reaction catalysed: 
ATP + 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol = ADP + 2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161740 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
4-diphosphocytidyl-2-C-methyl-D-erythritol kinase Chain: A
Molecule details ›
Chain: A
Length: 306 amino acids
Theoretical weight: 31.41 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WKG7 (Residues: 13-318; Coverage: 96%)
Gene names: MTCI237.28, Rv1011, ispE
Sequence domains:
Structure domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P212121
Unit cell:
a: 51.199Å b: 73.122Å c: 106.958Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.222 0.22 0.263
Expression system: Escherichia coli

Quick links