Chlorine in PDB 2xpu: Tetr(D) in Complex with Anhydrotetracycline.

The structure of Tetr(D) in Complex with Anhydrotetracycline., PDB code: 2xpu was solved by D.Dalm, G.J.Palm, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.12 / 1.55
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.233, 66.233, 179.872, 90.00, 90.00, 90.00
R / Rfree (%)	23.3 / 27.2

The binding sites of Chlorine atom in the Tetr(D) in Complex with Anhydrotetracycline. (pdb code 2xpu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Tetr(D) in Complex with Anhydrotetracycline., PDB code: 2xpu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Tetr(D) in Complex with Anhydrotetracycline.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tetr(D) in Complex with Anhydrotetracycline. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1210 b:30.2 occ:1.00 N A:LEU4 3.1 26.2 1.0 O A:HOH2003 3.2 35.4 1.0 CA A:LEU4 3.7 25.9 1.0 CB A:LEU4 3.8 24.8 1.0 C A:LEU4 3.9 27.8 1.0 CD A:ARG3 4.0 36.8 1.0 C A:ARG3 4.1 29.0 1.0 CA A:ARG3 4.1 30.3 1.0 NE A:ARG3 4.1 41.1 1.0 N A:ASN5 4.2 28.9 1.0 CG A:LEU4 4.4 23.5 1.0 CG A:ARG3 4.5 34.2 1.0 O A:LEU4 4.5 28.6 1.0 O A:SER2 4.7 32.9 1.0 CB A:ARG3 4.8 31.8 1.0

Chlorine binding site 2 out of 2 in the Tetr(D) in Complex with Anhydrotetracycline.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tetr(D) in Complex with Anhydrotetracycline. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1211 b:34.6 occ:1.00 O A:HOH2002 3.1 55.1 1.0 N A:ARG3 3.4 31.5 1.0 CA A:SER2 3.8 34.5 1.0 C A:SER2 3.9 33.1 1.0 CB A:ARG3 4.2 31.8 1.0 CA A:ARG3 4.3 30.3 1.0 OG A:SER2 4.4 39.6 1.0 CB A:SER2 4.6 34.8 1.0 N A:SER2 4.8 34.3 1.0 O A:SER2 4.9 32.9 1.0

S.Werten, D.Dalm, G.J.Palm, C.C.Grimm, W.Hinrichs. Tetracycline Repressor Allostery Does Not Depend on Divalent Metal Recognition. Biochemistry V. 53 7990 2014.
ISSN: ISSN 0006-2960
PubMed: 25432019
DOI: 10.1021/BI5012805