› 2cdn

X-ray diffraction
1.9Å resolution

Crystal structure of Mycobacterium tuberculosis adenylate kinase complexed with two molecules of ADP and Mg

Released:
DOI: 10.2210/pdb2cdn/pdb
PDB entry 2cdn coloured by chain, front view.
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Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
The crystal structure of Mycobacterium tuberculosis adenylate kinase in complex with two molecules of ADP and Mg2+ supports an associative mechanism for phosphoryl transfer.
Bellinzoni M, Haouz A, Graña M, Munier-Lehmann H, Shepard W, Alzari PM
Protein Sci 15 1489-93 (2006)
PMID: 16672241

Function and Biology Details

Reaction catalysed: 
ATP + AMP = 2 ADP
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161739 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Adenylate kinase Chain: A
Molecule details ›
Chain: A
Length: 201 amino acids
Theoretical weight: 22.32 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WKF5 (Residues: 1-181; Coverage: 100%)
Gene names: MTV041.07, Rv0733, adk
Sequence domains: Adenylate kinase
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P21
Unit cell:
a: 36.544Å b: 64.91Å c: 39.773Å
α: 90° β: 110.12° γ: 90°
R-values:
R R work R free
0.172 0.169 0.214
Expression system: Escherichia coli BL21(DE3)

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Citations

14 citation in other articles

Which electrospray-based ionization method best reflects protein-ligand interactions found in solution? a comparison of ESI, nanoESI, and ESSI for the determination of dissociation constants with mass spectrometry.
Jecklin et al. (2008)
13 more

10 mentions without citation

Phosphoribosyl Diphosphate (PRPP): Biosynthesis, Enzymology, Utilization, and Metabolic Significance.
Hove-Jensen et al. (2017)
9 more