Chlorine in PDB 3k0h: The Crystal Structure of BRCA1 Brct in Complex with A Minimal Recognition Tetrapeptide with An Amidated C-Terminus

The structure of The Crystal Structure of BRCA1 Brct in Complex with A Minimal Recognition Tetrapeptide with An Amidated C-Terminus, PDB code: 3k0h was solved by S.J.Campbell, R.A.Edwards, J.N.Glover, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.44 / 2.70
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	115.075, 115.075, 123.255, 90.00, 90.00, 120.00
R / Rfree (%)	24.7 / 29.6

The structure of The Crystal Structure of BRCA1 Brct in Complex with A Minimal Recognition Tetrapeptide with An Amidated C-Terminus also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Chlorine atom in the The Crystal Structure of BRCA1 Brct in Complex with A Minimal Recognition Tetrapeptide with An Amidated C-Terminus (pdb code 3k0h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the The Crystal Structure of BRCA1 Brct in Complex with A Minimal Recognition Tetrapeptide with An Amidated C-Terminus, PDB code: 3k0h:

Chlorine binding site 1 out of 1 in the The Crystal Structure of BRCA1 Brct in Complex with A Minimal Recognition Tetrapeptide with An Amidated C-Terminus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of BRCA1 Brct in Complex with A Minimal Recognition Tetrapeptide with An Amidated C-Terminus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl6 b:55.0 occ:0.70 O B:SEP1 2.3 58.5 0.7 N B:SEP1 2.4 57.3 0.7 C B:SEP1 3.0 58.1 0.7 CA B:SEP1 3.1 57.2 0.7 O2P B:SEP1 3.4 52.9 0.7 CB B:SEP1 3.6 56.5 0.7 N B:PRO2 4.3 58.6 0.7 OG B:SEP1 4.5 54.4 0.7 P B:SEP1 4.7 52.0 0.7 CA B:PRO2 4.9 58.7 0.7

S.J.Campbell, R.A.Edwards, J.N.Glover. Comparison of the Structures and Peptide Binding Specificities of the Brct Domains of MDC1 and BRCA1 Structure V. 18 167 2010.
ISSN: ISSN 0969-2126
PubMed: 20159462
DOI: 10.1016/J.STR.2009.12.008