Chlorine in PDB 2nte: Crystal Structure of the BARD1 Brct Domains

The structure of Crystal Structure of the BARD1 Brct Domains, PDB code: 2nte was solved by G.Birrane, A.K.Varma, A.Soni, J.A.A.Ladias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.87 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.441, 75.797, 116.570, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24.7

The binding sites of Chlorine atom in the Crystal Structure of the BARD1 Brct Domains (pdb code 2nte). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the BARD1 Brct Domains, PDB code: 2nte:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the BARD1 Brct Domains


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 BARD1 Brct Domains within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:63.5 occ:1.00 N A:ASN718 3.7 44.9 1.0 CA A:ILE717 4.0 44.4 1.0 C A:ILE717 4.2 44.5 1.0 CB A:ASN718 4.5 46.6 1.0 CA A:ASN718 4.6 45.4 1.0 N A:ILE717 4.7 43.0 1.0 O A:THR716 4.8 43.4 1.0 CG1 A:ILE717 4.9 48.3 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the BARD1 Brct Domains


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 BARD1 Brct Domains within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:70.1 occ:1.00 O B:HOH272 3.4 45.2 1.0 NZ B:LYS757 3.5 48.6 1.0 N B:GLU748 3.8 50.9 1.0 O B:HOH111 4.0 48.9 1.0 CB B:GLU748 4.0 52.1 1.0 N B:ARG749 4.3 50.1 1.0 CD B:LYS757 4.4 43.0 1.0 CB B:PRO747 4.4 49.6 1.0 CA B:GLU748 4.4 51.7 1.0 O B:ARG749 4.5 47.1 1.0 CE B:LYS757 4.5 45.2 1.0 C B:PRO747 4.7 50.1 1.0 CA B:PRO747 4.7 48.3 1.0 CG B:ARG749 4.7 54.6 1.0 OE1 B:GLU748 4.9 64.3 1.0 C B:GLU748 4.9 51.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the BARD1 Brct Domains


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the BARD1 Brct Domains within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:90.7 occ:1.00 N B:SER711 3.1 52.8 1.0 CA B:ASP710 3.3 52.3 1.0 CB B:GLN715 3.3 45.8 1.0 C B:ASP710 3.4 52.5 1.0 C B:SER711 3.6 53.4 1.0 O B:SER711 3.7 54.0 1.0 OE1 B:GLN715 3.8 55.5 1.0 N B:ASP710 3.9 51.6 1.0 CA B:SER711 4.0 53.2 1.0 N B:GLN715 4.0 45.7 1.0 N B:ASP712 4.0 53.7 1.0 CD B:GLN715 4.1 48.6 1.0 OG1 B:THR714 4.2 51.2 1.0 O B:ASP712 4.2 52.8 1.0 CA B:GLN715 4.3 46.5 1.0 CG B:GLN715 4.3 47.7 1.0 OD1 B:ASP710 4.3 57.0 1.0 CA B:ASP712 4.4 53.5 1.0 O B:ASP710 4.4 53.0 1.0 CB B:ASP710 4.5 52.6 1.0 C B:ASP712 4.5 52.8 1.0 C B:PRO709 4.6 50.6 1.0 CG B:ASP710 4.7 54.6 1.0 O B:PRO709 4.8 50.3 1.0 NE2 B:GLN715 5.0 52.2 1.0

G.Birrane, A.K.Varma, A.Soni, J.A.Ladias. Crystal Structure of the BARD1 Brct Domains. Biochemistry V. 46 7706 2007.
ISSN: ISSN 0006-2960
PubMed: 17550235
DOI: 10.1021/BI700323T