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Zinc in PDB 4u7g: Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Tbbz

Enzymatic activity of Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Tbbz

All present enzymatic activity of Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Tbbz:
1.10.99.2;

Protein crystallography data

The structure of Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Tbbz, PDB code: 4u7g was solved by K.K.Leung, B.H.Shilton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.18 / 1.96
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.240, 83.170, 106.650, 90.00, 90.00, 90.00
R / Rfree (%) 17.5 / 22.7

Other elements in 4u7g:

The structure of Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Tbbz also contains other interesting chemical elements:

Bromine (Br) 16 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Tbbz (pdb code 4u7g). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Tbbz, PDB code: 4u7g:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4u7g

Go back to Zinc Binding Sites List in 4u7g
Zinc binding site 1 out of 2 in the Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Tbbz


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Tbbz within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:24.8
occ:1.00
ND1 A:HIS177 2.0 26.4 1.0
ND1 A:HIS173 2.0 23.0 1.0
O A:CYS222 2.2 22.0 1.0
SG A:CYS222 2.2 19.6 1.0
CB A:CYS222 2.7 26.6 1.0
CG A:HIS177 2.9 24.6 1.0
CE1 A:HIS173 2.9 20.6 1.0
C A:CYS222 3.0 25.6 1.0
CE1 A:HIS177 3.0 27.6 1.0
CG A:HIS173 3.0 21.6 1.0
CB A:HIS177 3.2 19.8 1.0
CB A:HIS173 3.4 15.7 1.0
CA A:CYS222 3.4 26.8 1.0
CA A:HIS173 3.6 15.0 1.0
NE2 A:HIS173 4.1 23.1 1.0
CD2 A:HIS177 4.1 29.9 1.0
N A:THR223 4.1 23.6 1.0
NE2 A:HIS177 4.1 32.9 1.0
CD2 A:HIS173 4.1 20.6 1.0
N A:CYS222 4.6 23.9 1.0
N A:HIS173 4.6 15.2 1.0
C A:HIS173 4.6 15.5 1.0
CA A:THR223 4.6 25.8 1.0
H A:CYS222 4.6 28.6 1.0
O A:HIS173 4.6 19.1 1.0
O A:GLN172 4.7 18.9 1.0
H A:THR223 4.7 28.3 1.0
CA A:HIS177 4.7 20.0 1.0
HE2 A:HIS173 4.8 27.8 1.0
HE2 A:HIS177 4.9 39.5 1.0
CD1 A:TYR132 4.9 22.9 1.0
CE1 A:TYR132 4.9 25.9 1.0
C A:GLN172 5.0 21.9 1.0

Zinc binding site 2 out of 2 in 4u7g

Go back to Zinc Binding Sites List in 4u7g
Zinc binding site 2 out of 2 in the Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Tbbz


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Tbbz within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn301

b:15.0
occ:1.00
ND1 B:HIS177 2.0 16.6 1.0
ND1 B:HIS173 2.0 15.9 1.0
O B:CYS222 2.1 16.3 1.0
SG B:CYS222 2.2 13.3 1.0
CB B:CYS222 2.8 17.2 1.0
C B:CYS222 2.9 11.8 1.0
CG B:HIS177 3.0 19.5 1.0
CE1 B:HIS177 3.0 15.0 1.0
CE1 B:HIS173 3.0 14.6 1.0
CG B:HIS173 3.0 15.2 1.0
CB B:HIS177 3.3 12.1 1.0
CB B:HIS173 3.3 12.2 1.0
CA B:CYS222 3.4 13.5 1.0
CA B:HIS173 3.6 11.5 1.0
N B:THR223 4.0 15.6 1.0
NE2 B:HIS177 4.1 19.5 1.0
NE2 B:HIS173 4.1 13.3 1.0
CD2 B:HIS177 4.1 16.3 1.0
CD2 B:HIS173 4.2 13.9 1.0
N B:HIS173 4.5 12.0 1.0
N B:CYS222 4.6 16.4 1.0
CA B:THR223 4.6 12.1 1.0
H B:CYS222 4.6 19.7 1.0
C B:HIS173 4.6 12.7 1.0
H B:THR223 4.6 18.7 1.0
O B:GLN172 4.7 10.1 1.0
O B:HIS173 4.7 11.3 1.0
CA B:HIS177 4.9 11.7 1.0
HE2 B:HIS177 4.9 23.4 1.0
C B:GLN172 4.9 10.3 1.0
HE2 B:HIS173 4.9 15.9 1.0
CE1 B:HIS227 5.0 11.6 1.0

Reference:

K.K.Leung, B.H.Shilton. Quinone Reductase 2 Is An Adventitious Target of Protein Kinase CK2 Inhibitors Tbbz (Tbi) and Dmat. Biochemistry V. 54 47 2015.
ISSN: ISSN 0006-2960
PubMed: 25379648
DOI: 10.1021/BI500959T
Page generated: Wed Dec 16 05:47:51 2020

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