Chlorine in PDB 8qqe: Crystal Structure of the Complex Between DMC1 and the Phepp Domain of BRCA2

The structure of Crystal Structure of the Complex Between DMC1 and the Phepp Domain of BRCA2, PDB code: 8qqe was solved by S.Miron, P.Legrand, S.Zinn-Justin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.84 / 3.46
Space group	I 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	234.383, 234.383, 234.383, 90, 90, 90
R / Rfree (%)	24.8 / 26.1

The structure of Crystal Structure of the Complex Between DMC1 and the Phepp Domain of BRCA2 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of the Complex Between DMC1 and the Phepp Domain of BRCA2 (pdb code 8qqe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Complex Between DMC1 and the Phepp Domain of BRCA2, PDB code: 8qqe:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Complex Between DMC1 and the Phepp Domain of BRCA2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Complex Between DMC1 and the Phepp Domain of BRCA2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:171.5 occ:1.00 CA A:GLY131 2.8 171.0 1.0 O A:THR130 2.9 176.0 1.0 CG A:GLN134 3.2 157.5 1.0 OG1 A:THR133 3.5 160.5 1.0 C A:THR130 3.5 175.8 1.0 N A:GLY131 3.5 173.2 1.0 C A:GLY131 3.5 168.3 1.0 N A:GLN134 3.6 153.8 1.0 CB A:GLN134 3.7 153.7 1.0 N A:LYS132 3.9 165.8 1.0 N A:THR133 4.1 159.3 1.0 O A:GLY131 4.2 168.5 1.0 CA A:GLN134 4.3 152.0 1.0 CD1 A:ILE330 4.4 197.2 1.0 CD A:GLN134 4.5 161.9 1.0 C A:THR133 4.5 156.0 1.0 O A:ARG129 4.6 181.5 1.0 CA A:THR133 4.6 158.0 1.0 CB A:THR133 4.6 159.5 1.0 NE2 A:GLN134 4.7 162.5 1.0 CA A:THR130 4.8 178.1 1.0 C A:LYS132 4.9 161.3 1.0 O A:PHE128 4.9 183.9 1.0 CA A:LYS132 5.0 163.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Complex Between DMC1 and the Phepp Domain of BRCA2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Complex Between DMC1 and the Phepp Domain of BRCA2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:169.8 occ:1.00 O B:PHE128 2.7 174.6 1.0 O B:THR130 3.0 165.0 1.0 C B:PHE128 3.5 174.4 1.0 CA B:PHE128 3.6 175.0 1.0 CE B:LYS132 3.7 166.4 1.0 OG1 B:THR133 3.8 148.5 1.0 O B:GLU127 3.8 173.3 1.0 CB B:LYS132 3.9 154.3 1.0 N B:LYS132 3.9 154.3 1.0 N B:THR133 4.1 148.0 1.0 C B:THR130 4.1 164.7 1.0 CA B:LYS132 4.4 152.5 1.0 CB B:PHE128 4.5 176.0 1.0 CG B:LYS132 4.5 158.2 1.0 N B:THR130 4.6 169.2 1.0 CG2 B:THR133 4.6 147.8 1.0 N B:PHE128 4.7 174.0 1.0 CB B:THR133 4.7 147.5 1.0 N B:ARG129 4.7 173.5 1.0 C B:GLU127 4.7 173.1 1.0 CD B:LYS132 4.7 162.5 1.0 OG1 B:THR130 4.7 169.3 1.0 NZ B:LYS132 4.8 169.0 1.0 C B:LYS132 4.8 150.2 1.0 CA B:THR130 4.9 167.3 1.0 C B:GLY131 4.9 156.7 1.0 N B:GLY131 5.0 161.8 1.0

S.Miron, P.Legrand, P.Dupaigne, S.E.Van Rossum-Fikkert, D.Ristic, A.Majeed, R.Kanaar, S.Zinn-Justin, A.N.Zelensky. DMC1 and RAD51 Bind Fxxa and Fxpp Motifs of BRCA2 Via Two Separate Interfaces. Nucleic Acids Res. 2024.
ISSN: ESSN 1362-4962
PubMed: 38828772
DOI: 10.1093/NAR/GKAE452