Chlorine 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:

Nickel

(Ni)

1 atom

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure Analysis of Tet Repressor (Class D) in Complex with 7-Chlortetracycline-Nickel(II), PDB code: 2fj1:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 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 Chlorine with other atoms in the Cl 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:Cl301 b:33.9 occ:1.00 N A:LEU4 2.9 34.6 1.0 NH2 A:ARG3 3.7 46.6 1.0 CA A:LEU4 3.8 34.2 1.0 NE A:ARG3 3.8 47.2 1.0 C A:ARG3 3.8 37.4 1.0 CA A:ARG3 3.9 40.2 1.0 CB A:LEU4 3.9 33.9 1.0 O A:HOH351 4.0 45.1 1.0 C A:LEU4 4.1 34.0 1.0 CZ A:ARG3 4.2 51.5 1.0 O A:LEU4 4.4 39.2 1.0 O A:SER2 4.5 40.3 1.0 CG A:LEU4 4.5 32.3 1.0 N A:ASN5 4.5 34.2 1.0 CB A:ARG3 4.6 41.5 1.0 CG A:ARG3 4.6 44.1 1.0 CD A:ARG3 4.9 43.4 1.0

Chlorine binding site 2 out of 4 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 Chlorine with other atoms in the Cl binding site number 2 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:Cl302 b:42.5 occ:1.00 N A:ARG3 3.5 39.4 1.0 O A:HOH377 3.6 59.5 1.0 CA A:SER2 3.7 44.1 1.0 C A:SER2 3.8 41.1 1.0 N A:SER2 4.3 43.1 1.0 CA A:ARG3 4.5 40.2 1.0 CG A:ARG3 4.6 44.1 1.0 CB A:ARG3 4.6 41.5 1.0 O A:SER2 4.7 40.3 1.0

Chlorine binding site 3 out of 4 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 Chlorine with other atoms in the Cl binding site number 3 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:Cl303 b:63.3 occ:0.50 NH1 A:ARG118 3.2 56.4 1.0 CZ A:ARG118 3.4 59.3 1.0 NE A:ARG118 3.6 56.5 1.0 CD A:ARG118 3.6 48.3 1.0 NH2 A:ARG118 4.3 55.3 1.0

Chlorine binding site 4 out of 4 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 Chlorine with other atoms in the Cl binding site number 4 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:Cl222 b:32.7 occ:1.00 CL7 A:CTC222 0.0 32.7 1.0 C7 A:CTC222 1.8 30.4 1.0 C8 A:CTC222 2.6 31.5 1.0 C6A A:CTC222 2.8 25.6 1.0 C6' A:CTC222 3.2 31.2 1.0 O6 A:CTC222 3.2 28.8 1.0 C6 A:CTC222 3.3 24.6 1.0 CD1 A:LEU131 3.8 23.5 1.0 C9 A:CTC222 3.9 31.6 1.0 C6B A:CTC222 4.1 24.2 1.0 CD1 A:LEU117 4.2 28.7 1.0 CG1 A:VAL113 4.5 33.1 1.0 C10 A:CTC222 4.5 26.6 1.0 O A:HOH317 4.5 35.3 1.0 CD2 A:LEU117 4.8 24.2 1.0 C5A A:CTC222 4.8 18.8 1.0 CG A:LEU117 4.8 26.8 1.0 CG A:PRO105 4.9 32.0 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