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Potassium 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:

Zinc (Zn) 1 atom
Magnesium (Mg) 1 atom

Potassium Binding Sites:

The binding sites of Potassium 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 Potassium atom.
In total only one binding site of Potassium was determined in the Structure of Human DPP3 in Complex with A Hydroxyethylene Transition State Peptidomimetic, PDB code: 7oup:

Potassium binding site 1 out of 1 in 7oup

Go back to Potassium Binding Sites List in 7oup
Potassium 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 Potassium with other atoms in the K 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:K802

b:52.0
occ:1.00
 O A:GLY323 2.6 43.9 1.0
OG A:SER317 2.8 40.0 1.0
OD1 A:ASP496 2.8 42.3 1.0
OG A:SER504 2.8 38.1 1.0
O A:SER317 2.8 51.7 1.0
O A:HOH965 2.8 39.8 1.0
C A:GLY323 3.5 36.6 1.0
CG A:ASP496 3.5 53.0 1.0
CB A:SER317 3.6 47.5 1.0
CA A:GLY323 3.7 25.7 1.0
CB A:SER504 3.8 45.7 1.0
C A:SER317 3.8 34.9 1.0
N A:SER504 3.8 47.8 1.0
OD2 A:ASP496 4.0 46.5 1.0
CB A:ALA503 4.2 45.1 1.0
CA A:SER504 4.2 40.2 1.0
CA A:SER317 4.3 43.6 1.0
O A:SER500 4.4 45.8 1.0
CB A:ASP496 4.4 33.8 1.0
C A:ALA503 4.7 39.4 1.0
N A:SER324 4.7 40.1 1.0
N A:TYR318 4.9 39.4 1.0
CA A:ALA503 4.9 40.1 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: Mon Aug 12 19:46:10 2024

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