Nickel in PDB 3k16: Crystal Structure of BRCA1 Brct D1840T in Complex with A Minimal Recognition Tetrapeptide with A Free Carboxy C-Terminus

The structure of Crystal Structure of BRCA1 Brct D1840T in Complex with A Minimal Recognition Tetrapeptide with A Free Carboxy C-Terminus, PDB code: 3k16 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)	38.66 / 3.00
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	114.337, 114.337, 123.867, 90.00, 90.00, 120.00
R / Rfree (%)	22.4 / 28.8

The structure of Crystal Structure of BRCA1 Brct D1840T in Complex with A Minimal Recognition Tetrapeptide with A Free Carboxy C-Terminus also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Nickel atom in the Crystal Structure of BRCA1 Brct D1840T in Complex with A Minimal Recognition Tetrapeptide with A Free Carboxy C-Terminus (pdb code 3k16). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Crystal Structure of BRCA1 Brct D1840T in Complex with A Minimal Recognition Tetrapeptide with A Free Carboxy C-Terminus, PDB code: 3k16:

Nickel binding site 1 out of 1 in the Crystal Structure of BRCA1 Brct D1840T in Complex with A Minimal Recognition Tetrapeptide with A Free Carboxy C-Terminus


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of BRCA1 Brct D1840T in Complex with A Minimal Recognition Tetrapeptide with A Free Carboxy C-Terminus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1 b:89.5 occ:0.50 O A:HOH2 1.6 34.6 1.0 NE2 A:HIS1805 2.3 42.9 1.0 O A:HOH3 2.6 22.4 1.0 CD2 A:HIS1805 3.1 45.5 1.0 CE1 A:HIS1805 3.2 44.1 1.0 CG A:HIS1805 4.3 45.8 1.0 ND1 A:HIS1805 4.3 45.6 1.0 O A:HOH4 4.9 0.1 1.0

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