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Bromine in PDB 4u7h: Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat

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

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

Protein crystallography data

The structure of Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat, PDB code: 4u7h 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) 30.02 / 1.48
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.250, 83.010, 106.480, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 20.7

Other elements in 4u7h:

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

Zinc (Zn) 2 atoms

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Bromine atom in the Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat (pdb code 4u7h). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 16 binding sites of Bromine where determined in the Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat, PDB code: 4u7h:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 16 in 4u7h

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Bromine binding site 1 out of 16 in the Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br301

b:34.9
occ:0.75
BR1 B:K25301 0.0 34.9 0.8
BR11 B:K25301 0.7 52.3 0.2
C2 B:K25301 1.9 35.9 0.8
C5 B:K25301 2.3 41.3 0.2
C3 B:K25301 2.8 34.9 0.8
C2 B:K25301 2.9 35.9 0.2
O B:GLY174 3.0 13.5 1.0
C5 B:K25301 3.0 41.3 0.8
BR1 B:K25301 3.1 34.9 0.2
HZ3 A:TRP105 3.1 16.9 1.0
BR9 B:K25301 3.2 29.6 0.8
HE1 A:PHE106 3.3 23.4 1.0
HE3 A:TRP105 3.3 14.8 1.0
O4 A:FAD302 3.3 14.1 1.0
C7 B:K25301 3.4 38.2 0.2
CG B:PHE178 3.5 12.5 1.0
CZ3 A:TRP105 3.6 14.1 1.0
CD1 B:PHE178 3.6 14.3 1.0
HD1 A:PHE106 3.6 20.5 1.0
CE3 A:TRP105 3.6 12.3 1.0
BR11 B:K25301 3.7 52.3 0.8
CD2 B:PHE178 3.7 13.7 1.0
C4 A:FAD302 3.7 10.9 1.0
HB2 B:PHE178 3.9 16.5 1.0
CE1 B:PHE178 3.9 16.9 1.0
CE1 A:PHE106 3.9 19.5 1.0
HD1 B:PHE178 4.0 17.2 1.0
CE2 B:PHE178 4.0 13.6 1.0
HA A:TRP105 4.0 13.3 1.0
CZ B:PHE178 4.0 15.5 1.0
N14 B:K25301 4.0 37.2 0.2
CD1 A:PHE106 4.1 17.1 1.0
HB3 B:PHE178 4.1 16.5 1.0
CB B:PHE178 4.1 13.8 1.0
HD2 B:PHE178 4.1 16.5 1.0
N3 A:FAD302 4.2 14.4 1.0
C B:GLY174 4.2 14.0 1.0
C4 B:K25301 4.2 40.1 0.8
C7 B:K25301 4.3 38.2 0.8
C3 B:K25301 4.3 34.9 0.2
HA2 B:GLY174 4.3 16.1 1.0
HE1 B:PHE178 4.3 20.2 1.0
C4X A:FAD302 4.4 13.5 1.0
HE2 B:PHE178 4.5 16.4 1.0
HZ B:PHE178 4.6 18.6 1.0
C8 B:K25301 4.6 37.0 0.2
CH2 A:TRP105 4.7 16.3 1.0
N5 A:FAD302 4.7 11.8 1.0
CA B:GLY174 4.7 13.4 1.0
HA B:THR175 4.7 16.0 1.0
C8 B:K25301 4.8 37.0 0.8
CD2 A:TRP105 4.8 11.3 1.0
HA3 B:GLY174 4.9 16.1 1.0
H A:TRP105 4.9 14.7 1.0
H A:PHE106 4.9 14.1 1.0
CA A:TRP105 4.9 11.1 1.0
C4 B:K25301 5.0 40.1 0.2
HH2 A:TRP105 5.0 19.6 1.0

Bromine binding site 2 out of 16 in 4u7h

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Bromine binding site 2 out of 16 in the Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br301

b:34.9
occ:0.25
BR1 B:K25301 0.0 34.9 0.2
BR9 B:K25301 0.5 29.6 0.8
C3 B:K25301 1.4 34.9 0.8
C2 B:K25301 1.9 35.9 0.2
C4 B:K25301 2.2 40.1 0.8
C2 B:K25301 2.5 35.9 0.8
BR10 B:K25301 2.8 46.3 0.8
C3 B:K25301 2.8 34.9 0.2
C5 B:K25301 2.9 41.3 0.2
BR1 B:K25301 3.1 34.9 0.8
HE1 B:PHE178 3.2 20.2 1.0
HE1 A:PHE106 3.2 23.4 1.0
HD21 A:ASN161 3.3 24.3 1.0
BR9 B:K25301 3.3 29.6 0.2
BR11 B:K25301 3.3 52.3 0.2
CE1 B:PHE178 3.5 16.9 1.0
C8 B:K25301 3.6 37.0 0.8
OD1 A:ASN161 3.6 19.2 1.0
C5 B:K25301 3.7 41.3 0.8
N3 A:FAD302 3.7 14.4 1.0
ND2 A:ASN161 3.8 20.3 1.0
CZ B:PHE178 3.9 15.5 1.0
HH A:TYR155 4.0 22.6 1.0
CD1 B:PHE178 4.0 14.3 1.0
CG A:ASN161 4.0 18.2 1.0
HZ B:PHE178 4.0 18.6 1.0
C4 B:K25301 4.1 40.1 0.2
C2 A:FAD302 4.1 14.5 1.0
C7 B:K25301 4.1 38.2 0.8
HD1 B:PHE178 4.1 17.2 1.0
OH A:TYR155 4.1 18.8 1.0
CE1 A:PHE106 4.2 19.5 1.0
O2 A:FAD302 4.2 16.2 1.0
C7 B:K25301 4.2 38.2 0.2
C4 A:FAD302 4.3 10.9 1.0
HD22 A:ASN161 4.4 24.3 1.0
O4 A:FAD302 4.6 14.1 1.0
C8 B:K25301 4.7 37.0 0.2
OH B:TYR132 4.8 18.6 1.0
N6 B:K25301 4.8 31.8 0.8
HD1 A:PHE106 4.8 20.5 1.0
CE2 B:PHE178 4.8 13.6 1.0
HZ A:PHE106 4.8 18.3 1.0
CG B:PHE178 4.9 12.5 1.0
HA3 A:GLY150 4.9 25.1 1.0
HE2 B:TYR132 4.9 20.6 1.0
N1 A:FAD302 4.9 13.1 1.0
CZ A:TYR155 5.0 19.1 1.0
CD1 A:PHE106 5.0 17.1 1.0

Bromine binding site 3 out of 16 in 4u7h

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Bromine binding site 3 out of 16 in the Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br301

b:29.6
occ:0.75
BR9 B:K25301 0.0 29.6 0.8
BR1 B:K25301 0.5 34.9 0.2
C3 B:K25301 1.9 34.9 0.8
C2 B:K25301 2.4 35.9 0.2
C4 B:K25301 2.7 40.1 0.8
C2 B:K25301 2.9 35.9 0.8
HE1 A:PHE106 2.9 23.4 1.0
BR10 B:K25301 3.0 46.3 0.8
HD21 A:ASN161 3.0 24.3 1.0
OD1 A:ASN161 3.1 19.2 1.0
BR1 B:K25301 3.2 34.9 0.8
HE1 B:PHE178 3.2 20.2 1.0
C3 B:K25301 3.3 34.9 0.2
C5 B:K25301 3.3 41.3 0.2
ND2 A:ASN161 3.5 20.3 1.0
CE1 B:PHE178 3.5 16.9 1.0
BR11 B:K25301 3.5 52.3 0.2
CG A:ASN161 3.6 18.2 1.0
BR9 B:K25301 3.7 29.6 0.2
CE1 A:PHE106 3.9 19.5 1.0
CD1 B:PHE178 3.9 14.3 1.0
HD1 B:PHE178 3.9 17.2 1.0
N3 A:FAD302 3.9 14.4 1.0
HH A:TYR155 3.9 22.6 1.0
OH A:TYR155 4.0 18.8 1.0
C8 B:K25301 4.0 37.0 0.8
CZ B:PHE178 4.1 15.5 1.0
HD22 A:ASN161 4.1 24.3 1.0
C5 B:K25301 4.2 41.3 0.8
HZ B:PHE178 4.3 18.6 1.0
OH B:TYR132 4.4 18.6 1.0
C2 A:FAD302 4.4 14.5 1.0
O2 A:FAD302 4.4 16.2 1.0
HZ A:PHE106 4.4 18.3 1.0
C4 A:FAD302 4.6 10.9 1.0
C4 B:K25301 4.6 40.1 0.2
C7 B:K25301 4.6 38.2 0.8
HE2 B:TYR132 4.6 20.6 1.0
CZ A:PHE106 4.6 15.3 1.0
C7 B:K25301 4.7 38.2 0.2
HD1 A:PHE106 4.7 20.5 1.0
HH B:TYR132 4.7 22.3 1.0
O4 A:FAD302 4.7 14.1 1.0
CZ A:TYR155 4.8 19.1 1.0
HB3 A:ASN161 4.8 24.7 1.0
CD1 A:PHE106 4.8 17.1 1.0
CB A:ASN161 4.8 20.6 1.0
CG B:PHE178 4.9 12.5 1.0
HA3 A:GLY150 5.0 25.1 1.0

Bromine binding site 4 out of 16 in 4u7h

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Bromine binding site 4 out of 16 in the Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br301

b:29.6
occ:0.25
BR9 B:K25301 0.0 29.6 0.2
BR10 B:K25301 1.1 46.3 0.8
C4 B:K25301 1.6 40.1 0.8
C3 B:K25301 1.9 34.9 0.2
C8 B:K25301 2.1 37.0 0.8
N6 B:K25301 2.4 31.8 0.8
C4 B:K25301 2.7 40.1 0.2
C2 B:K25301 2.9 35.9 0.2
C3 B:K25301 2.9 34.9 0.8
BR10 B:K25301 2.9 46.3 0.2
BR1 B:K25301 3.3 34.9 0.2
HA2 A:GLY150 3.5 25.1 1.0
C7 B:K25301 3.5 38.2 0.8
N A:GLY150 3.6 18.1 1.0
H A:GLY150 3.6 21.8 1.0
BR9 B:K25301 3.7 29.6 0.8
HA3 A:GLY150 3.7 25.1 1.0
C13 B:K25301 3.8 36.5 0.8
CA A:GLY150 3.8 20.9 1.0
HA3 A:GLY149 3.9 21.6 1.0
C A:GLY149 3.9 19.6 1.0
O2 A:FAD302 4.0 16.2 1.0
C8 B:K25301 4.0 37.0 0.2
C2 B:K25301 4.1 35.9 0.8
C5 B:K25301 4.2 41.3 0.2
C2 A:FAD302 4.2 14.5 1.0
N14 B:K25301 4.3 37.2 0.8
C5 B:K25301 4.3 41.3 0.8
HZ B:PHE178 4.4 18.6 1.0
HD21 A:ASN161 4.4 24.3 1.0
N1 A:FAD302 4.4 13.1 1.0
CA A:GLY149 4.4 18.0 1.0
O A:GLY149 4.4 23.5 1.0
C7 B:K25301 4.6 38.2 0.2
HE1 B:PHE178 4.7 20.2 1.0
N15 B:K25301 4.8 42.0 0.8
SD A:MET154 4.9 38.5 1.0
N3 A:FAD302 4.9 14.4 1.0
HH A:TYR155 4.9 22.6 1.0
H A:GLY149 4.9 20.5 1.0
CZ B:PHE178 4.9 15.5 1.0

Bromine binding site 5 out of 16 in 4u7h

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Bromine binding site 5 out of 16 in the Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br301

b:46.3
occ:0.75
BR10 B:K25301 0.0 46.3 0.8
BR9 B:K25301 1.1 29.6 0.2
C4 B:K25301 2.0 40.1 0.8
C3 B:K25301 2.5 34.9 0.2
BR1 B:K25301 2.8 34.9 0.2
C3 B:K25301 2.9 34.9 0.8
BR9 B:K25301 3.0 29.6 0.8
C8 B:K25301 3.0 37.0 0.8
C2 B:K25301 3.0 35.9 0.2
HA3 A:GLY150 3.1 25.1 1.0
HA2 A:GLY150 3.2 25.1 1.0
HD21 A:ASN161 3.2 24.3 1.0
CA A:GLY150 3.5 20.9 1.0
N6 B:K25301 3.5 31.8 0.8
C4 B:K25301 3.6 40.1 0.2
N A:GLY150 3.6 18.1 1.0
H A:GLY150 3.6 21.8 1.0
O2 A:FAD302 3.9 16.2 1.0
ND2 A:ASN161 4.1 20.3 1.0
SD A:MET154 4.1 38.5 1.0
BR10 B:K25301 4.1 46.3 0.2
C2 B:K25301 4.2 35.9 0.8
C A:GLY149 4.3 19.6 1.0
C7 B:K25301 4.3 38.2 0.8
C2 A:FAD302 4.3 14.5 1.0
HE1 B:PHE178 4.3 20.2 1.0
HH A:TYR155 4.4 22.6 1.0
C5 B:K25301 4.4 41.3 0.2
HD22 A:ASN161 4.5 24.3 1.0
HZ B:PHE178 4.6 18.6 1.0
HA3 A:GLY149 4.6 21.6 1.0
HE2 A:TYR155 4.7 23.4 1.0
HE1 A:MET154 4.8 42.0 1.0
N3 A:FAD302 4.8 14.4 1.0
O A:GLY149 4.8 23.5 1.0
C5 B:K25301 4.8 41.3 0.8
N1 A:FAD302 4.8 13.1 1.0
C8 B:K25301 4.9 37.0 0.2
C13 B:K25301 4.9 36.5 0.8
OD1 A:ASN161 4.9 19.2 1.0
OH A:TYR155 4.9 18.8 1.0
CE1 B:PHE178 4.9 16.9 1.0
CG A:ASN161 4.9 18.2 1.0
C A:GLY150 5.0 26.3 1.0

Bromine binding site 6 out of 16 in 4u7h

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Bromine binding site 6 out of 16 in the Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br301

b:46.3
occ:0.25
BR10 B:K25301 0.0 46.3 0.2
N6 B:K25301 0.7 31.8 0.8
C13 B:K25301 1.3 36.5 0.8
C4 B:K25301 1.9 40.1 0.2
N15 B:K25301 1.9 42.0 0.8
C8 B:K25301 2.1 37.0 0.8
C17 B:K25301 2.2 42.5 0.8
N14 B:K25301 2.5 37.2 0.8
C3 B:K25301 2.8 34.9 0.2
C7 B:K25301 2.8 38.2 0.8
C8 B:K25301 2.9 37.0 0.2
BR9 B:K25301 2.9 29.6 0.2
HA3 A:GLY149 3.2 21.6 1.0
C4 B:K25301 3.3 40.1 0.8
C16 B:K25301 3.3 42.9 0.8
N6 B:K25301 3.3 31.8 0.2
C2 B:K25301 4.1 35.9 0.2
BR10 B:K25301 4.1 46.3 0.8
CA A:GLY149 4.1 18.0 1.0
HD13 B:ILE128 4.1 44.8 1.0
C7 B:K25301 4.2 38.2 0.2
C5 B:K25301 4.2 41.3 0.8
C1' A:FAD302 4.3 15.0 1.0
N1 A:FAD302 4.4 13.1 1.0
C3 B:K25301 4.4 34.9 0.8
C A:GLY149 4.5 19.6 1.0
HA2 A:GLY149 4.5 21.6 1.0
C5 B:K25301 4.6 41.3 0.2
N10 A:FAD302 4.6 14.7 1.0
C13 B:K25301 4.7 36.5 0.2
C10 A:FAD302 4.7 13.8 1.0
HD11 B:ILE128 4.7 44.8 1.0
O A:HOH613 4.7 42.8 1.0
HG13 B:ILE128 4.8 44.8 1.0
HE2 B:PHE126 4.8 21.0 1.0
O A:GLY149 4.8 23.5 1.0
CD1 B:ILE128 4.9 37.3 1.0
C2 B:K25301 4.9 35.9 0.8
N A:GLY150 4.9 18.1 1.0

Bromine binding site 7 out of 16 in 4u7h

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Bromine binding site 7 out of 16 in the Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br301

b:52.3
occ:0.75
BR11 B:K25301 0.0 52.3 0.8
N14 B:K25301 0.5 37.2 0.2
C7 B:K25301 1.6 38.2 0.2
C13 B:K25301 1.9 36.5 0.2
C5 B:K25301 1.9 41.3 0.8
C5 B:K25301 2.5 41.3 0.2
C8 B:K25301 2.7 37.0 0.2
N15 B:K25301 2.8 42.0 0.2
N6 B:K25301 2.8 31.8 0.2
C7 B:K25301 2.9 38.2 0.8
C2 B:K25301 2.9 35.9 0.8
C16 B:K25301 3.0 42.9 0.2
BR11 B:K25301 3.0 52.3 0.2
N14 B:K25301 3.2 37.2 0.8
N5 A:FAD302 3.3 11.8 1.0
CZ3 A:TRP105 3.4 14.1 1.0
CH2 A:TRP105 3.4 16.3 1.0
C5X A:FAD302 3.5 12.5 1.0
HZ3 A:TRP105 3.6 16.9 1.0
BR1 B:K25301 3.7 34.9 0.8
HH2 A:TRP105 3.7 19.6 1.0
CE3 A:TRP105 3.7 12.3 1.0
CZ2 A:TRP105 3.7 12.6 1.0
C4X A:FAD302 3.8 13.5 1.0
C6 A:FAD302 3.8 12.3 1.0
C2 B:K25301 3.8 35.9 0.2
HE2 B:PHE178 3.8 16.4 1.0
C4 B:K25301 3.9 40.1 0.2
HZ B:PHE126 3.9 22.0 1.0
CD2 A:TRP105 4.0 11.3 1.0
HE1 B:PHE126 4.0 21.4 1.0
CE2 A:TRP105 4.0 12.9 1.0
CZ B:PHE126 4.1 18.3 1.0
C17 B:K25301 4.1 42.5 0.2
CE1 B:PHE126 4.1 17.8 1.0
HE3 A:TRP105 4.1 14.8 1.0
CE2 B:PHE178 4.1 13.6 1.0
HZ2 A:TRP105 4.1 15.2 1.0
C9A A:FAD302 4.2 14.2 1.0
C3 B:K25301 4.2 34.9 0.8
C8 B:K25301 4.2 37.0 0.8
H A:TRP105 4.3 14.7 1.0
C4 A:FAD302 4.3 10.9 1.0
C3 B:K25301 4.3 34.9 0.2
C10 A:FAD302 4.4 13.8 1.0
HD2 B:PHE178 4.5 16.5 1.0
O4 A:FAD302 4.5 14.1 1.0
CD2 B:PHE178 4.5 13.7 1.0
C13 B:K25301 4.6 36.5 0.8
N10 A:FAD302 4.6 14.7 1.0
HA A:TRP105 4.6 13.3 1.0
C7 A:FAD302 4.7 11.7 1.0
C4 B:K25301 4.8 40.1 0.8
CE2 B:PHE126 4.8 17.5 1.0
CZ B:PHE178 4.8 15.5 1.0
CD1 B:PHE126 4.8 16.7 1.0
NE1 A:TRP105 4.8 12.5 1.0
CG A:TRP105 4.9 12.5 1.0
HZ B:PHE178 4.9 18.6 1.0
C9 A:FAD302 5.0 12.8 1.0

Bromine binding site 8 out of 16 in 4u7h

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Bromine binding site 8 out of 16 in the Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br301

b:52.3
occ:0.25
BR11 B:K25301 0.0 52.3 0.2
BR1 B:K25301 0.7 34.9 0.8
C2 B:K25301 1.6 35.9 0.8
C5 B:K25301 1.9 41.3 0.2
C5 B:K25301 2.5 41.3 0.8
C2 B:K25301 2.8 35.9 0.2
C3 B:K25301 2.8 34.9 0.8
C7 B:K25301 2.9 38.2 0.2
HZ3 A:TRP105 2.9 16.9 1.0
BR11 B:K25301 3.0 52.3 0.8
HE3 A:TRP105 3.1 14.8 1.0
O4 A:FAD302 3.2 14.1 1.0
CZ3 A:TRP105 3.2 14.1 1.0
CE3 A:TRP105 3.3 12.3 1.0
BR1 B:K25301 3.3 34.9 0.2
O B:GLY174 3.3 13.5 1.0
N14 B:K25301 3.4 37.2 0.2
C4 A:FAD302 3.5 10.9 1.0
BR9 B:K25301 3.5 29.6 0.8
CD2 B:PHE178 3.6 13.7 1.0
CG B:PHE178 3.7 12.5 1.0
CE2 B:PHE178 3.8 13.6 1.0
HA A:TRP105 3.8 13.3 1.0
C7 B:K25301 3.8 38.2 0.8
HE1 A:PHE106 3.8 23.4 1.0
CD1 B:PHE178 3.9 14.3 1.0
HD1 A:PHE106 3.9 20.5 1.0
HD2 B:PHE178 4.0 16.5 1.0
CZ B:PHE178 4.0 15.5 1.0
CE1 B:PHE178 4.1 16.9 1.0
C4X A:FAD302 4.1 13.5 1.0
C4 B:K25301 4.1 40.1 0.8
C3 B:K25301 4.1 34.9 0.2
N3 A:FAD302 4.1 14.4 1.0
C8 B:K25301 4.1 37.0 0.2
HE2 B:PHE178 4.2 16.4 1.0
N5 A:FAD302 4.2 11.8 1.0
CH2 A:TRP105 4.2 16.3 1.0
HB3 B:PHE178 4.3 16.5 1.0
HB2 B:PHE178 4.3 16.5 1.0
CB B:PHE178 4.4 13.8 1.0
HD1 B:PHE178 4.4 17.2 1.0
CD2 A:TRP105 4.4 11.3 1.0
CE1 A:PHE106 4.4 19.5 1.0
HZ B:PHE178 4.5 18.6 1.0
C8 B:K25301 4.5 37.0 0.8
CD1 A:PHE106 4.5 17.1 1.0
H A:TRP105 4.5 14.7 1.0
C B:GLY174 4.5 14.0 1.0
HH2 A:TRP105 4.6 19.6 1.0
HE1 B:PHE178 4.6 20.2 1.0
C4 B:K25301 4.6 40.1 0.2
C13 B:K25301 4.7 36.5 0.2
CA A:TRP105 4.8 11.1 1.0
HA B:THR175 4.8 16.0 1.0
HA2 B:GLY174 4.9 16.1 1.0
H A:PHE106 4.9 14.1 1.0

Bromine binding site 9 out of 16 in 4u7h

Go back to Bromine Binding Sites List in 4u7h
Bromine binding site 9 out of 16 in the Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br304

b:54.9
occ:0.65
BR1 B:K25304 0.0 54.9 0.7
BR11 B:K25304 1.3 57.5 0.3
C2 B:K25304 1.9 53.7 0.7
C5 B:K25304 2.8 53.3 0.3
C3 B:K25304 2.8 53.7 0.7
O A:GLY174 2.9 15.9 1.0
C5 B:K25304 3.0 53.3 0.7
BR1 B:K25304 3.0 54.9 0.3
HZ3 B:TRP105 3.1 20.0 1.0
BR9 B:K25304 3.2 53.0 0.7
HE1 B:PHE106 3.2 25.5 1.0
C2 B:K25304 3.2 53.7 0.3
HE3 B:TRP105 3.4 21.4 1.0
O4 B:FAD303 3.4 17.8 1.0
CG A:PHE178 3.5 17.1 1.0
CD2 A:PHE178 3.6 16.4 1.0
CZ3 B:TRP105 3.6 16.7 1.0
CD1 A:PHE178 3.6 21.7 1.0
HD1 B:PHE106 3.7 22.3 1.0
CE3 B:TRP105 3.8 17.8 1.0
HB2 A:PHE178 3.8 24.1 1.0
BR11 B:K25304 3.8 57.5 0.7
CE1 B:PHE106 3.8 21.3 1.0
CE2 A:PHE178 3.9 21.0 1.0
C4 B:FAD303 3.9 15.2 1.0
CE1 A:PHE178 3.9 21.7 1.0
C7 B:K25304 4.0 50.5 0.3
HD2 A:PHE178 4.0 19.7 1.0
HB3 A:PHE178 4.0 24.1 1.0
HD1 A:PHE178 4.0 26.1 1.0
CB A:PHE178 4.0 20.1 1.0
C A:GLY174 4.0 14.1 1.0
CD1 B:PHE106 4.0 18.6 1.0
CZ A:PHE178 4.1 20.2 1.0
C4 B:K25304 4.1 55.8 0.7
HA B:TRP105 4.1 17.3 1.0
HA2 A:GLY174 4.2 21.0 1.0
C7 B:K25304 4.3 50.5 0.7
N3 B:FAD303 4.3 17.6 1.0
HE2 A:PHE178 4.4 25.2 1.0
HE1 A:PHE178 4.4 26.0 1.0
N14 B:K25304 4.5 49.5 0.3
CA A:GLY174 4.6 17.5 1.0
C3 B:K25304 4.6 53.7 0.3
HZ A:PHE178 4.6 24.2 1.0
C4X B:FAD303 4.6 15.4 1.0
HA3 A:GLY174 4.7 21.0 1.0
C8 B:K25304 4.7 50.8 0.7
HA A:THR175 4.7 20.7 1.0
CH2 B:TRP105 4.7 21.2 1.0
CZ B:PHE106 4.9 18.1 1.0
H B:PHE106 4.9 17.0 1.0
N5 B:FAD303 4.9 14.4 1.0
CD2 B:TRP105 4.9 14.5 1.0

Bromine binding site 10 out of 16 in 4u7h

Go back to Bromine Binding Sites List in 4u7h
Bromine binding site 10 out of 16 in the Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Oxidized Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br304

b:54.9
occ:0.35
BR1 B:K25304 0.0 54.9 0.3
BR9 B:K25304 0.6 53.0 0.7
C3 B:K25304 1.3 53.7 0.7
C2 B:K25304 1.9 53.7 0.3
C4 B:K25304 2.2 55.8 0.7
C2 B:K25304 2.4 53.7 0.7
C3 B:K25304 2.8 53.7 0.3
BR10 B:K25304 2.8 63.1 0.7
C5 B:K25304 2.9 53.3 0.3
BR1 B:K25304 3.0 54.9 0.7
HE1 B:PHE106 3.1 25.5 1.0
HD21 B:ASN161 3.1 33.3 1.0
BR9 B:K25304 3.2 53.0 0.3
BR11 B:K25304 3.4 57.5 0.3
HE1 A:PHE178 3.5 26.0 1.0
C8 B:K25304 3.5 50.8 0.7
ND2 B:ASN161 3.6 27.7 1.0
OD1 B:ASN161 3.6 26.6 1.0
CE1 A:PHE178 3.7 21.7 1.0
C5 B:K25304 3.7 53.3 0.7
N3 B:FAD303 3.7 17.6 1.0
HH B:TYR155 3.8 26.3 1.0
OH B:TYR155 3.9 21.9 1.0
CG B:ASN161 3.9 27.4 1.0
CE1 B:PHE106 4.0 21.3 1.0
C7 B:K25304 4.1 50.5 0.7
CZ A:PHE178 4.1 20.2 1.0
C4 B:K25304 4.1 55.8 0.3
CD1 A:PHE178 4.1 21.7 1.0
C2 B:FAD303 4.1 18.9 1.0
HZ A:PHE178 4.2 24.2 1.0
HD22 B:ASN161 4.2 33.3 1.0
C7 B:K25304 4.2 50.5 0.3
O2 B:FAD303 4.2 19.4 1.0
HD1 A:PHE178 4.3 26.1 1.0
C4 B:FAD303 4.3 15.2 1.0
O4 B:FAD303 4.6 17.8 1.0
C8 B:K25304 4.7 50.8 0.3
HZ B:PHE106 4.7 21.8 1.0
CZ B:TYR155 4.7 19.9 1.0
HD1 B:PHE106 4.7 22.3 1.0
N6 B:K25304 4.7 47.7 0.7
OH A:TYR132 4.8 22.3 1.0
CZ B:PHE106 4.9 18.1 1.0
CE2 A:PHE178 4.9 21.0 1.0
CD1 B:PHE106 4.9 18.6 1.0
CG A:PHE178 4.9 17.1 1.0
HA3 B:GLY150 5.0 26.9 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: Sat Dec 12 02:23:21 2020

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