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Zinc in PDB 1zx1: Human Quinone Oxidoreductase 2 (NQO2) in Complex with the Cytostatic Prodrug CB1954

Protein crystallography data

The structure of Human Quinone Oxidoreductase 2 (NQO2) in Complex with the Cytostatic Prodrug CB1954, PDB code: 1zx1 was solved by A.Jansson, X.Wu, K.Kavanagh, D.Kerr, R.Knox, R.Walton, U.Gunther, C.Ludwig, A.Edwards, C.Arrowsmith, M.Sundstrom, F.Von Delft, U.Oppermann, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.16
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.328, 84.341, 106.579, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 20.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Quinone Oxidoreductase 2 (NQO2) in Complex with the Cytostatic Prodrug CB1954 (pdb code 1zx1). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Human Quinone Oxidoreductase 2 (NQO2) in Complex with the Cytostatic Prodrug CB1954, PDB code: 1zx1:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 1zx1

Go back to Zinc Binding Sites List in 1zx1
Zinc binding site 1 out of 2 in the Human Quinone Oxidoreductase 2 (NQO2) in Complex with the Cytostatic Prodrug CB1954


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Quinone Oxidoreductase 2 (NQO2) in Complex with the Cytostatic Prodrug CB1954 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn231

b:53.6
occ:1.00
ND1 A:HIS173 2.1 36.6 1.0
ND1 A:HIS177 2.1 37.5 1.0
SG A:CYS222 2.3 46.2 1.0
O A:CYS222 2.4 45.5 1.0
CE1 A:HIS173 3.0 38.3 1.0
CB A:CYS222 3.0 44.2 1.0
CG A:HIS177 3.0 36.9 1.0
CG A:HIS173 3.1 37.6 1.0
CE1 A:HIS177 3.1 38.2 1.0
C A:CYS222 3.2 44.2 1.0
CB A:HIS177 3.2 35.6 1.0
CB A:HIS173 3.5 36.7 1.0
CA A:HIS173 3.6 38.0 1.0
CA A:CYS222 3.7 43.9 1.0
NE2 A:HIS173 4.1 39.0 1.0
CD2 A:HIS177 4.2 38.5 1.0
CD2 A:HIS173 4.2 35.6 1.0
NE2 A:HIS177 4.2 37.3 1.0
N A:THR223 4.3 43.5 1.0
N A:HIS173 4.6 38.2 1.0
C A:HIS173 4.6 38.8 1.0
O A:HIS173 4.6 38.7 1.0
CA A:HIS177 4.8 35.8 1.0
N A:CYS222 4.8 43.8 1.0
O A:GLN172 4.8 40.2 1.0
CA A:THR223 4.8 42.5 1.0
CE1 A:TYR132 4.9 40.2 1.0
CZ3 A:TRP169 5.0 38.1 1.0
CD1 A:TYR132 5.0 40.3 1.0
C A:GLN172 5.0 39.4 1.0

Zinc binding site 2 out of 2 in 1zx1

Go back to Zinc Binding Sites List in 1zx1
Zinc binding site 2 out of 2 in the Human Quinone Oxidoreductase 2 (NQO2) in Complex with the Cytostatic Prodrug CB1954


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human Quinone Oxidoreductase 2 (NQO2) in Complex with the Cytostatic Prodrug CB1954 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn231

b:41.9
occ:1.00
ND1 B:HIS173 2.1 37.6 1.0
O B:CYS222 2.3 45.7 1.0
ND1 B:HIS177 2.4 41.5 1.0
SG B:CYS222 2.4 44.0 1.0
CB B:CYS222 2.8 43.8 1.0
C B:CYS222 3.0 44.2 1.0
CG B:HIS173 3.0 37.8 1.0
CE1 B:HIS173 3.1 35.8 1.0
CG B:HIS177 3.2 37.6 1.0
CB B:HIS173 3.3 37.2 1.0
CE1 B:HIS177 3.3 40.2 1.0
CA B:CYS222 3.4 43.7 1.0
CB B:HIS177 3.4 34.9 1.0
CA B:HIS173 3.6 38.1 1.0
N B:THR223 4.1 43.2 1.0
CD2 B:HIS173 4.2 36.6 1.0
NE2 B:HIS173 4.2 37.9 1.0
CD2 B:HIS177 4.4 36.4 1.0
NE2 B:HIS177 4.4 38.5 1.0
N B:HIS173 4.5 38.2 1.0
N B:CYS222 4.6 43.6 1.0
CA B:THR223 4.7 42.2 1.0
C B:HIS173 4.7 38.5 1.0
O B:GLN172 4.7 39.3 1.0
CZ3 B:TRP169 4.8 37.9 1.0
O B:HIS173 4.8 38.2 1.0
C B:GLN172 4.9 38.9 1.0
CA B:HIS177 5.0 35.4 1.0

Reference:

A.Jansson, X.Wu, K.Kavanagh, D.Kerr, R.Knox, R.Walton, U.Gunther, C.Ludwig, A.Edwards, C.Arrowsmith, M.Sundstrom, F.Von Delft, U.Oppermann. Human Quinone Oxidoreductase 2 (NQO2) in Complex with the Cytostatic Prodrug CB1954 To Be Published.
Page generated: Wed Dec 16 03:16:16 2020

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