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Magnesium in PDB 7oup: Structure of Human DPP3 in Complex with A Hydroxyethylene Transition State Peptidomimetic

Enzymatic activity of Structure of Human DPP3 in Complex with A Hydroxyethylene Transition State Peptidomimetic

All present enzymatic activity of Structure of Human DPP3 in Complex with A Hydroxyethylene Transition State Peptidomimetic:
3.4.14.4;

Protein crystallography data

The structure of Structure of Human DPP3 in Complex with A Hydroxyethylene Transition State Peptidomimetic, PDB code: 7oup was solved by P.Kumar, V.Reithofer, K.Gruber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.28 / 2.65
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 119.337, 105.597, 64.861, 90, 93.65, 90
R / Rfree (%) 19.7 / 25.3

Other elements in 7oup:

The structure of Structure of Human DPP3 in Complex with A Hydroxyethylene Transition State Peptidomimetic also contains other interesting chemical elements:

Potassium (K) 1 atom
Zinc (Zn) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Human DPP3 in Complex with A Hydroxyethylene Transition State Peptidomimetic (pdb code 7oup). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Structure of Human DPP3 in Complex with A Hydroxyethylene Transition State Peptidomimetic, PDB code: 7oup:

Magnesium binding site 1 out of 1 in 7oup

Go back to Magnesium Binding Sites List in 7oup
Magnesium binding site 1 out of 1 in the Structure of Human DPP3 in Complex with A Hydroxyethylene Transition State Peptidomimetic


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Human DPP3 in Complex with A Hydroxyethylene Transition State Peptidomimetic within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg803

b:34.5
occ:1.00
 O A:HOH957 2.1 43.2 1.0
O A:GLY164 2.3 51.5 1.0
O A:GLY167 2.5 46.8 1.0
O A:GLY162 2.7 36.6 1.0
C A:GLY167 3.1 45.4 1.0
C A:GLY164 3.5 53.8 1.0
N A:ILE168 3.6 47.1 1.0
CA A:ILE168 3.7 42.6 1.0
C A:LEU163 3.7 33.5 1.0
N A:GLY164 3.8 43.2 1.0
C A:GLY162 3.9 38.5 1.0
N A:THR169 3.9 40.4 1.0
O A:LEU163 3.9 42.6 1.0
CA A:LEU163 4.0 31.9 1.0
C A:ILE168 4.1 34.9 1.0
CA A:GLY167 4.1 48.0 1.0
CG2 A:THR169 4.2 38.8 1.0
N A:GLY167 4.3 54.8 1.0
CA A:GLY164 4.3 44.1 1.0
O A:GLY174 4.4 41.6 1.0
N A:LEU163 4.4 42.9 1.0
N A:LYS165 4.6 52.4 1.0
CA A:LYS165 4.8 46.8 1.0
C A:LYS165 4.9 53.7 1.0
O A:ILE168 5.0 41.3 1.0
CB A:THR169 5.0 34.9 1.0
CA A:THR169 5.0 36.5 1.0
CA A:GLY174 5.0 41.0 1.0

Reference:

R.Breinbauer, J.Ivkovic, S.Jha, C.Lembacher-Fadum, J.Puschnig, P.Kumar, V.Reithofer, K.Gruber, P.Macheroux. Efficient Entropy-Driven Inhibition of Dipeptidyl Peptidase III By Hydroxyethylene Transition State Peptidomimetics. Chemistry 2021.
ISSN: ISSN 0947-6539
PubMed: 34314529
DOI: 10.1002/CHEM.202102204
Page generated: Thu Oct 3 03:35:47 2024

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