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Bromine in PDB 2vqs: Structural Studies of Nucleoside Analog and Feedback Inhibitor Binding to Drosophila Melanogaster Multisubstrate Deoxyribonucleoside Kinase

Enzymatic activity of Structural Studies of Nucleoside Analog and Feedback Inhibitor Binding to Drosophila Melanogaster Multisubstrate Deoxyribonucleoside Kinase

All present enzymatic activity of Structural Studies of Nucleoside Analog and Feedback Inhibitor Binding to Drosophila Melanogaster Multisubstrate Deoxyribonucleoside Kinase:
2.7.1.145;

Protein crystallography data

The structure of Structural Studies of Nucleoside Analog and Feedback Inhibitor Binding to Drosophila Melanogaster Multisubstrate Deoxyribonucleoside Kinase, PDB code: 2vqs was solved by N.E.Mikkelsen, B.Munch-Petersen, H.Eklund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.90
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 137.644, 112.828, 69.721, 90.00, 90.00, 90.00
R / Rfree (%) 24.2 / 28.6

Bromine Binding Sites:

The binding sites of Bromine atom in the Structural Studies of Nucleoside Analog and Feedback Inhibitor Binding to Drosophila Melanogaster Multisubstrate Deoxyribonucleoside Kinase (pdb code 2vqs). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Structural Studies of Nucleoside Analog and Feedback Inhibitor Binding to Drosophila Melanogaster Multisubstrate Deoxyribonucleoside Kinase, PDB code: 2vqs:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 2vqs

Go back to Bromine Binding Sites List in 2vqs
Bromine binding site 1 out of 4 in the Structural Studies of Nucleoside Analog and Feedback Inhibitor Binding to Drosophila Melanogaster Multisubstrate Deoxyribonucleoside Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structural Studies of Nucleoside Analog and Feedback Inhibitor Binding to Drosophila Melanogaster Multisubstrate Deoxyribonucleoside Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1210

b:68.0
occ:1.00
 BR A:BVD1210 0.0 68.0 1.0
C5B A:BVD1210 1.9 61.8 1.0
C5A A:BVD1210 2.7 59.6 1.0
O A:SER106 3.5 39.0 1.0
OG A:SER109 3.8 38.9 1.0
SD A:MET88 3.8 38.6 1.0
N A:ALA110 3.8 37.5 1.0
CB A:ALA110 3.9 37.3 1.0
CB A:ARG105 3.9 38.7 1.0
CA A:ALA110 4.0 37.3 1.0
C5 A:BVD1210 4.1 60.4 1.0
CD A:ARG105 4.1 40.2 1.0
CG1 A:VAL84 4.1 35.2 1.0
O4 A:BVD1210 4.2 59.1 1.0
CG A:ARG105 4.3 39.1 1.0
N A:SER106 4.3 39.0 1.0
CG A:MET88 4.4 35.6 1.0
OE2 A:GLU52 4.4 51.8 1.0
C A:SER109 4.5 37.5 1.0
C A:SER106 4.5 38.8 1.0
C4 A:BVD1210 4.6 59.4 1.0
CB A:SER109 4.7 37.4 1.0
CH2 A:TRP57 4.8 49.9 1.0
CD1 A:PHE114 4.9 41.0 1.0

Bromine binding site 2 out of 4 in 2vqs

Go back to Bromine Binding Sites List in 2vqs
Bromine binding site 2 out of 4 in the Structural Studies of Nucleoside Analog and Feedback Inhibitor Binding to Drosophila Melanogaster Multisubstrate Deoxyribonucleoside Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structural Studies of Nucleoside Analog and Feedback Inhibitor Binding to Drosophila Melanogaster Multisubstrate Deoxyribonucleoside Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1210

b:66.0
occ:1.00
 BR B:BVD1210 0.0 66.0 1.0
C5B B:BVD1210 1.9 55.4 1.0
C5A B:BVD1210 2.5 50.5 1.0
O B:SER106 3.4 39.0 1.0
CB B:ALA110 3.7 37.6 1.0
SD B:MET88 3.8 38.7 1.0
OG B:SER109 3.8 38.7 1.0
N B:ALA110 3.8 37.5 1.0
CG1 B:VAL84 3.9 34.9 1.0
C5 B:BVD1210 4.0 51.0 1.0
CB B:ARG105 4.0 38.7 1.0
CA B:ALA110 4.0 37.4 1.0
CD B:ARG105 4.2 40.3 1.0
CG B:MET88 4.3 35.7 1.0
N B:SER106 4.3 38.9 1.0
CG B:ARG105 4.4 39.2 1.0
C B:SER106 4.5 38.8 1.0
O4 B:BVD1210 4.5 50.5 1.0
OE2 B:GLU52 4.6 51.9 1.0
C B:SER109 4.6 37.5 1.0
CH2 B:TRP57 4.7 49.8 1.0
C4 B:BVD1210 4.8 48.6 1.0
CB B:SER109 4.8 37.3 1.0
C6 B:BVD1210 4.8 49.5 1.0
CA B:SER106 5.0 38.7 1.0

Bromine binding site 3 out of 4 in 2vqs

Go back to Bromine Binding Sites List in 2vqs
Bromine binding site 3 out of 4 in the Structural Studies of Nucleoside Analog and Feedback Inhibitor Binding to Drosophila Melanogaster Multisubstrate Deoxyribonucleoside Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structural Studies of Nucleoside Analog and Feedback Inhibitor Binding to Drosophila Melanogaster Multisubstrate Deoxyribonucleoside Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br1210

b:81.5
occ:1.00
 BR C:BVD1210 0.0 81.5 1.0
C5B C:BVD1210 1.9 76.0 1.0
C5A C:BVD1210 2.8 72.0 1.0
OG C:SER109 3.9 38.9 1.0
SD C:MET88 4.0 38.6 1.0
O C:SER106 4.0 39.0 1.0
CG1 C:VAL84 4.0 35.4 1.0
CB C:ALA110 4.0 37.4 1.0
CD C:ARG105 4.0 40.3 1.0
CB C:ARG105 4.0 38.5 1.0
N C:ALA110 4.1 37.6 1.0
C5 C:BVD1210 4.1 72.3 1.0
CA C:ALA110 4.2 37.3 1.0
O4 C:BVD1210 4.2 69.6 1.0
OE2 C:GLU52 4.3 52.0 1.0
CG C:ARG105 4.3 39.3 1.0
CH2 C:TRP57 4.5 50.0 1.0
CG C:MET88 4.6 35.5 1.0
N C:SER106 4.7 39.0 1.0
C4 C:BVD1210 4.7 69.7 1.0
C C:SER109 4.7 37.5 1.0
CD1 C:PHE114 4.8 40.8 1.0
CZ2 C:TRP57 4.9 49.7 1.0
CE1 C:PHE114 4.9 39.7 1.0
CB C:SER109 4.9 37.5 1.0
C C:SER106 4.9 38.9 1.0

Bromine binding site 4 out of 4 in 2vqs

Go back to Bromine Binding Sites List in 2vqs
Bromine binding site 4 out of 4 in the Structural Studies of Nucleoside Analog and Feedback Inhibitor Binding to Drosophila Melanogaster Multisubstrate Deoxyribonucleoside Kinase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structural Studies of Nucleoside Analog and Feedback Inhibitor Binding to Drosophila Melanogaster Multisubstrate Deoxyribonucleoside Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br1210

b:70.0
occ:1.00
 BR D:BVD1210 0.0 70.0 1.0
C5B D:BVD1210 1.9 63.4 1.0
C5A D:BVD1210 2.8 61.1 1.0
O D:SER106 3.7 39.1 1.0
OG D:SER109 3.7 38.8 1.0
N D:ALA110 3.8 37.6 1.0
CB D:ALA110 3.8 37.4 1.0
CB D:ARG105 4.0 38.8 1.0
CA D:ALA110 4.0 37.4 1.0
CD D:ARG105 4.0 40.4 1.0
SD D:MET88 4.0 40.1 1.0
CG1 D:VAL84 4.1 35.3 1.0
C5 D:BVD1210 4.1 61.5 1.0
O4 D:BVD1210 4.2 60.0 1.0
CG D:ARG105 4.2 39.2 1.0
OE2 D:GLU52 4.4 52.0 1.0
N D:SER106 4.5 39.0 1.0
C D:SER109 4.5 37.6 1.0
CG D:MET88 4.6 35.9 1.0
C D:SER106 4.7 38.9 1.0
CB D:SER109 4.7 37.5 1.0
C4 D:BVD1210 4.7 59.6 1.0
CH2 D:TRP57 4.7 49.6 1.0
CD1 D:PHE114 4.8 40.9 1.0
CE1 D:PHE114 4.9 39.8 1.0

Reference:

N.E.Mikkelsen, B.Munch-Petersen, H.Eklund. Structural Studies of Nucleoside Analog and Feedback Inhibitor Binding to Drosophila Melanogaster Multisubstrate Deoxyribonucleoside Kinase. Febs J. V. 275 2151 2008.
ISSN: ISSN 1742-464X
PubMed: 18384378
DOI: 10.1111/J.1742-4658.2008.06369.X
Page generated: Wed Jul 10 18:45:31 2024

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