Nickel in PDB 2fj1: Crystal Structure Analysis of Tet Repressor (Class D) in Complex with 7-Chlortetracycline-Nickel(II)

The structure of Crystal Structure Analysis of Tet Repressor (Class D) in Complex with 7-Chlortetracycline-Nickel(II), PDB code: 2fj1 was solved by P.Orth, W.Saenger, G.J.Palm, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.55 / 2.20
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.937, 68.937, 180.893, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 21.5

The structure of Crystal Structure Analysis of Tet Repressor (Class D) in Complex with 7-Chlortetracycline-Nickel(II) also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Nickel atom in the Crystal Structure Analysis of Tet Repressor (Class D) in Complex with 7-Chlortetracycline-Nickel(II) (pdb code 2fj1). 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 Analysis of Tet Repressor (Class D) in Complex with 7-Chlortetracycline-Nickel(II), PDB code: 2fj1:

Nickel binding site 1 out of 1 in the Crystal Structure Analysis of Tet Repressor (Class D) in Complex with 7-Chlortetracycline-Nickel(II)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure Analysis of Tet Repressor (Class D) in Complex with 7-Chlortetracycline-Nickel(II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni223 b:28.2 occ:1.00 O12 A:CTC222 2.0 20.8 1.0 O11 A:CTC222 2.0 21.4 1.0 NE2 A:HIS100 2.1 16.5 1.0 O A:HOH224 2.2 22.4 1.0 O A:HOH226 2.2 21.6 1.0 O A:HOH225 2.2 25.9 1.0 C12 A:CTC222 2.9 19.7 1.0 C11 A:CTC222 3.0 18.2 1.0 CD2 A:HIS100 3.0 20.1 1.0 CE1 A:HIS100 3.1 21.7 1.0 C5B A:CTC222 3.3 18.2 1.0 O A:HOH305 3.8 22.5 1.0 OG1 A:THR103 4.0 25.3 1.0 O A:HOH327 4.0 45.6 1.0 O10 A:CTC222 4.1 27.9 1.0 CG A:HIS100 4.2 19.2 1.0 ND1 A:HIS100 4.2 20.5 1.0 C4B A:CTC222 4.2 20.7 1.0 O A:THR103 4.2 29.3 1.0 C6B A:CTC222 4.3 24.2 1.0 O4B A:CTC222 4.3 21.4 1.0 C10 A:CTC222 4.6 26.6 1.0 C A:THR103 4.8 27.5 1.0 C5A A:CTC222 4.8 18.8 1.0 O1 A:CTC222 4.8 28.2 1.0 O A:HIS100 4.9 21.8 1.0

G.J.Palm, T.Lederer, P.Orth, W.Saenger, M.Takahashi, W.Hillen, W.Hinrichs. Specific Binding of Divalent Metal Ions to Tetracycline and to the Tet Repressor/Tetracycline Complex. J.Biol.Inorg.Chem. V. 13 1097 2008.
ISSN: ISSN 0949-8257
PubMed: 18548290
DOI: 10.1007/S00775-008-0395-2