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Zinc in PDB 2qx9: Crystal Structure of Quinone Reductase II

Enzymatic activity of Crystal Structure of Quinone Reductase II

All present enzymatic activity of Crystal Structure of Quinone Reductase II:
1.10.99.2;

Protein crystallography data

The structure of Crystal Structure of Quinone Reductase II, PDB code: 2qx9 was solved by B.Calamini, B.D.Santarsiero, J.A.Boutin, A.D.Mesecar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.31
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.025, 81.528, 106.178, 90.00, 90.00, 90.00
R / Rfree (%) 21.3 / 28.6

Other elements in 2qx9:

The structure of Crystal Structure of Quinone Reductase II also contains other interesting chemical elements:

Iodine (I) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Quinone Reductase II (pdb code 2qx9). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Quinone Reductase II, PDB code: 2qx9:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 2qx9

Go back to Zinc Binding Sites List in 2qx9
Zinc binding site 1 out of 2 in the Crystal Structure of Quinone Reductase II


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Quinone Reductase II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn231

b:54.2
occ:1.00
ND1 A:HIS177 2.2 49.8 1.0
ND1 A:HIS173 2.2 41.5 1.0
O A:CYS222 2.3 59.8 1.0
SG A:CYS222 2.5 59.2 1.0
CB A:CYS222 2.5 60.0 1.0
C A:CYS222 3.0 59.7 1.0
CG A:HIS173 3.1 39.7 1.0
CE1 A:HIS177 3.2 47.6 1.0
CG A:HIS177 3.2 45.4 1.0
CE1 A:HIS173 3.2 42.0 1.0
CA A:CYS222 3.3 60.0 1.0
CB A:HIS173 3.4 40.1 1.0
CB A:HIS177 3.5 40.6 1.0
CA A:HIS173 3.5 40.2 1.0
N A:THR223 4.2 58.6 1.0
NE2 A:HIS177 4.3 48.7 1.0
CD2 A:HIS173 4.3 38.8 1.0
CD2 A:HIS177 4.3 45.2 1.0
NE2 A:HIS173 4.3 41.1 1.0
N A:CYS222 4.5 60.8 1.0
N A:HIS173 4.5 40.6 1.0
C A:HIS173 4.6 41.9 1.0
O A:GLN172 4.6 38.6 1.0
O A:HIS173 4.6 41.6 1.0
CA A:THR223 4.8 56.8 1.0
CZ3 A:TRP169 4.8 46.1 1.0
C A:GLN172 4.8 39.9 1.0
CE1 A:TYR132 5.0 37.9 1.0

Zinc binding site 2 out of 2 in 2qx9

Go back to Zinc Binding Sites List in 2qx9
Zinc binding site 2 out of 2 in the Crystal Structure of Quinone Reductase II


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Quinone Reductase II within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn231

b:63.4
occ:1.00
ND1 B:HIS177 2.1 57.3 1.0
ND1 B:HIS173 2.2 49.6 1.0
O B:CYS222 2.3 65.8 1.0
SG B:CYS222 2.5 64.8 1.0
CG B:HIS177 3.1 55.5 1.0
CE1 B:HIS173 3.1 49.2 1.0
CE1 B:HIS177 3.2 57.8 1.0
CG B:HIS173 3.2 49.7 1.0
CB B:CYS222 3.2 65.3 1.0
CB B:HIS177 3.3 51.6 1.0
C B:CYS222 3.3 65.4 1.0
CB B:HIS173 3.5 48.6 1.0
CA B:HIS173 3.8 48.4 1.0
CA B:CYS222 3.9 66.0 1.0
CD2 B:HIS177 4.2 56.5 1.0
NE2 B:HIS173 4.2 51.3 1.0
NE2 B:HIS177 4.3 58.4 1.0
CD2 B:HIS173 4.3 49.8 1.0
N B:THR223 4.4 65.0 1.0
O B:HIS173 4.6 50.5 1.0
C B:HIS173 4.7 49.8 1.0
N B:HIS173 4.7 47.8 1.0
O B:GLN172 4.7 50.2 1.0
CA B:THR223 4.7 64.3 1.0
CA B:HIS177 4.8 48.4 1.0
CE1 B:TYR132 5.0 54.9 1.0
N B:CYS222 5.0 66.1 1.0

Reference:

B.Calamini, B.D.Santarsiero, J.A.Boutin, A.D.Mesecar. Kinetic, Thermodynamic and X-Ray Structural Insights Into the Interaction of Melatonin and Analogues with Quinone Reductase 2. Biochem.J. V. 413 81 2008.
ISSN: ISSN 0264-6021
PubMed: 18254726
DOI: 10.1042/BJ20071373
Page generated: Wed Dec 16 03:51:11 2020

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