Fluorine in PDB 8uvw: Crystal Structure of RAD51-BRCA2 Cter Complex

The structure of Crystal Structure of RAD51-BRCA2 Cter Complex, PDB code: 8uvw was solved by M.A.Longo, R.Perera, C.-L.Tsai, J.A.Tainer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.82 / 2.73
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.463, 98.551, 128.324, 90, 90, 90
R / Rfree (%)	24.8 / 28.2

The binding sites of Fluorine atom in the Crystal Structure of RAD51-BRCA2 Cter Complex (pdb code 8uvw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of RAD51-BRCA2 Cter Complex, PDB code: 8uvw:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Crystal Structure of RAD51-BRCA2 Cter Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of RAD51-BRCA2 Cter Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F2001 b:99.2 occ:1.00 F1 B:BEF2001 0.0 99.2 1.0 BE B:BEF2001 1.5 92.7 1.0 O3B B:ADP2000 2.5 70.0 1.0 F2 B:BEF2001 2.6 90.0 1.0 F3 B:BEF2001 2.6 78.8 1.0 O2B B:ADP2000 2.9 96.5 1.0 OE1 B:GLU163 3.0 116.0 1.0 PB B:ADP2000 3.2 79.8 1.0 CE1 B:PHE129 3.7 102.2 1.0 OG1 B:THR134 3.8 70.0 1.0 CD B:GLU163 4.0 110.7 1.0 NE2 B:GLN268 4.1 94.2 1.0 CD1 B:PHE129 4.1 98.7 1.0 O1B B:ADP2000 4.3 88.9 1.0 O3A B:ADP2000 4.3 86.2 1.0 OE2 B:GLU163 4.4 103.0 1.0 CZ B:PHE129 4.8 100.8 1.0 CG2 B:THR165 4.9 81.5 1.0 OG1 B:THR165 5.0 105.0 1.0 O2A B:ADP2000 5.0 91.0 1.0 NZ B:LYS133 5.0 87.7 1.0

Fluorine binding site 2 out of 6 in the Crystal Structure of RAD51-BRCA2 Cter Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of RAD51-BRCA2 Cter Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F2001 b:90.0 occ:1.00 F2 B:BEF2001 0.0 90.0 1.0 BE B:BEF2001 1.5 92.7 1.0 F3 B:BEF2001 2.6 78.8 1.0 F1 B:BEF2001 2.6 99.2 1.0 OG1 B:THR134 2.6 70.0 1.0 O3B B:ADP2000 2.9 70.0 1.0 OD1 B:ASP222 3.1 76.5 1.0 OE1 B:GLU163 3.1 116.0 1.0 CG2 B:THR266 3.7 105.5 1.0 PB B:ADP2000 3.8 79.8 1.0 CG B:ASP222 4.0 98.7 1.0 CB B:THR134 4.0 82.5 1.0 OD2 B:ASP222 4.1 96.1 1.0 O1B B:ADP2000 4.1 88.9 1.0 CD B:GLU163 4.2 110.7 1.0 O2B B:ADP2000 4.2 96.5 1.0 N B:THR134 4.3 75.3 1.0 CB B:LYS133 4.5 76.4 1.0 CA B:THR134 4.6 77.7 1.0 OE2 B:GLU163 4.6 103.0 1.0 CB B:SER223 4.6 110.8 1.0 OG1 B:THR165 4.7 105.0 1.0 CB B:THR266 4.8 84.0 1.0 NZ B:LYS133 4.9 87.7 1.0 CG2 B:THR134 4.9 68.3 1.0 CD B:LYS133 4.9 71.8 1.0 NE2 B:GLN268 5.0 94.2 1.0

Fluorine binding site 3 out of 6 in the Crystal Structure of RAD51-BRCA2 Cter Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of RAD51-BRCA2 Cter Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F2001 b:78.8 occ:1.00 F3 B:BEF2001 0.0 78.8 1.0 BE B:BEF2001 1.5 92.7 1.0 OG1 B:THR134 2.2 70.0 1.0 F2 B:BEF2001 2.6 90.0 1.0 F1 B:BEF2001 2.6 99.2 1.0 OG1 B:THR165 2.6 105.0 1.0 O3B B:ADP2000 3.0 70.0 1.0 OE1 B:GLU163 3.2 116.0 1.0 CB B:THR165 3.3 87.4 1.0 CB B:THR134 3.4 82.5 1.0 CG2 B:THR165 3.4 81.5 1.0 CG2 B:THR134 3.6 68.3 1.0 OD2 B:ASP222 3.7 96.1 1.0 OD1 B:ASP222 4.1 76.5 1.0 CG B:ASP222 4.3 98.7 1.0 CD B:GLU163 4.4 110.7 1.0 PB B:ADP2000 4.4 79.8 1.0 CA B:THR134 4.6 77.7 1.0 CB B:GLU163 4.6 96.6 1.0 CA B:THR165 4.7 83.8 1.0 O2A B:ADP2000 4.9 91.0 1.0 O2B B:ADP2000 4.9 96.5 1.0 N B:THR134 5.0 75.3 1.0 O B:THR165 5.0 99.9 1.0

Fluorine binding site 4 out of 6 in the Crystal Structure of RAD51-BRCA2 Cter Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of RAD51-BRCA2 Cter Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:F5001 b:83.1 occ:1.00 F1 D:BEF5001 0.0 83.1 1.0 BE D:BEF5001 1.5 85.2 1.0 F2 D:BEF5001 2.6 79.9 1.0 F3 D:BEF5001 2.6 83.6 1.0 O2B D:ADP5000 2.6 91.8 1.0 O3B D:ADP5000 2.8 66.0 1.0 PB D:ADP5000 3.2 77.7 1.0 OE1 D:GLU163 3.3 105.7 1.0 CE1 D:PHE129 3.8 107.5 1.0 CD1 D:PHE129 3.8 98.7 1.0 CB B:ALA295 4.0 93.6 1.0 OE1 D:GLN268 4.1 92.0 1.0 OG1 D:THR134 4.2 78.2 1.0 CD D:GLU163 4.3 106.0 1.0 O1B D:ADP5000 4.3 78.6 1.0 NZ D:LYS133 4.4 92.3 1.0 O3A D:ADP5000 4.4 89.5 1.0 OE2 D:GLU163 4.4 101.1 1.0 CE D:LYS133 4.5 87.5 1.0 OG D:SER223 4.8 113.0 1.0 CD D:GLN268 4.9 105.2 1.0

Fluorine binding site 5 out of 6 in the Crystal Structure of RAD51-BRCA2 Cter Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of RAD51-BRCA2 Cter Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:F5001 b:79.9 occ:1.00 F2 D:BEF5001 0.0 79.9 1.0 BE D:BEF5001 1.5 85.2 1.0 F3 D:BEF5001 2.6 83.6 1.0 F1 D:BEF5001 2.6 83.1 1.0 OG1 D:THR134 2.8 78.2 1.0 O3B D:ADP5000 2.9 66.0 1.0 OD1 D:ASP222 3.2 74.6 1.0 OE1 D:GLU163 3.3 105.7 1.0 OG D:SER223 3.6 113.0 1.0 PB D:ADP5000 3.8 77.7 1.0 CG2 D:THR266 3.8 86.5 1.0 CE D:LYS133 3.9 87.5 1.0 CG D:ASP222 4.1 97.6 1.0 O2B D:ADP5000 4.1 91.8 1.0 CB D:THR134 4.2 74.8 1.0 OD2 D:ASP222 4.2 95.9 1.0 O1B D:ADP5000 4.2 78.6 1.0 CD D:GLU163 4.3 106.0 1.0 N D:THR134 4.4 58.9 1.0 CB D:LYS133 4.4 66.9 1.0 NZ D:LYS133 4.5 92.3 1.0 OE2 D:GLU163 4.7 101.1 1.0 CA D:THR134 4.7 66.0 1.0 CB D:SER223 4.9 91.3 1.0 CB D:THR266 4.9 73.3 1.0 OE1 D:GLN268 4.9 92.0 1.0 CD D:LYS133 4.9 73.0 1.0

Fluorine binding site 6 out of 6 in the Crystal Structure of RAD51-BRCA2 Cter Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of RAD51-BRCA2 Cter Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:F5001 b:83.6 occ:1.00 F3 D:BEF5001 0.0 83.6 1.0 BE D:BEF5001 1.5 85.2 1.0 OG1 D:THR134 2.2 78.2 1.0 O3B D:ADP5000 2.3 66.0 1.0 F2 D:BEF5001 2.6 79.9 1.0 F1 D:BEF5001 2.6 83.1 1.0 CB D:THR134 3.3 74.8 1.0 OG1 D:THR165 3.5 63.3 1.0 OE1 D:GLU163 3.5 105.7 1.0 PB D:ADP5000 3.7 77.7 1.0 CG2 D:THR134 3.9 73.5 1.0 CB D:THR165 4.1 66.6 1.0 O2B D:ADP5000 4.1 91.8 1.0 O2A D:ADP5000 4.1 94.0 1.0 CB B:ALA295 4.2 93.6 1.0 CG2 D:THR165 4.2 84.1 1.0 OD2 D:ASP222 4.3 95.9 1.0 O3A D:ADP5000 4.4 89.5 1.0 CA D:THR134 4.6 66.0 1.0 OD1 D:ASP222 4.6 74.6 1.0 N D:THR134 4.7 58.9 1.0 PA D:ADP5000 4.7 79.0 1.0 O1B D:ADP5000 4.8 78.6 1.0 O D:HOH5109 4.8 92.8 1.0 CD D:GLU163 4.8 106.0 1.0 CG D:ASP222 4.9 97.6 1.0 O1A D:ADP5000 4.9 87.9 1.0

M.A.Longo, M.A.Syed. Molecular Recognition of RAD51 By the BRCA2 Carboxy Terminal Domain To Be Published.