Zinc 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
Magnesium (Mg) 1 atom

Zinc Binding Sites:

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

Zinc binding site 1 out of 1 in 7oup

Go back to Zinc Binding Sites List in 7oup
Zinc 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 Zinc with other atoms in the Zn 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:Zn801

b:78.2
occ:1.00
 O1 F:1QI2 1.8 49.0 0.8
OE2 A:GLU508 2.0 51.3 1.0
NE2 A:HIS450 2.0 57.8 1.0
NE2 A:HIS455 2.0 58.5 1.0
O A:HOH941 2.1 51.9 0.6
CD2 A:HIS450 2.8 52.9 1.0
CE1 A:HIS455 3.0 47.8 1.0
C4 F:1QI2 3.0 49.5 0.8
CE1 A:HIS450 3.1 50.2 1.0
CD2 A:HIS455 3.1 56.0 1.0
CD A:GLU508 3.2 49.8 1.0
N1 F:1QI2 3.8 64.1 0.8
C5 F:1QI2 3.8 50.0 0.8
CG A:GLU508 3.9 38.3 1.0
CG A:HIS450 4.0 54.6 1.0
ND1 A:HIS450 4.1 50.5 1.0
ND1 A:HIS455 4.1 54.2 1.0
C3 F:1QI2 4.1 59.2 0.8
OE1 A:GLU508 4.2 67.7 1.0
CG A:HIS455 4.2 46.6 1.0
NE2 A:HIS568 4.3 37.5 1.0
C F:VAL1 4.3 65.3 0.8
C2 F:1QI2 4.5 50.4 0.8
CB F:VAL1 4.5 61.6 0.8
O F:VAL1 4.7 62.2 0.8
C1 F:1QI2 4.7 50.7 0.8
CD2 A:HIS568 4.7 43.0 1.0
CB A:ALA511 4.8 40.5 1.0
CA A:GLU508 5.0 46.0 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: Sun Aug 22 09:53:02 2021

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