Chlorine in PDB 6za3: Structure of the Transcriptional Repressor ATU1419 (Vanr) From Agrobacterium Fabrum in Complex A Palindromic Dna (C2221 Space Group)

The structure of Structure of the Transcriptional Repressor ATU1419 (Vanr) From Agrobacterium Fabrum in Complex A Palindromic Dna (C2221 Space Group), PDB code: 6za3 was solved by S.Morera, A.Vigouroux, P.Legrand, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.07 / 2.05
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	62.446, 112.402, 179.552, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22.8

The structure of Structure of the Transcriptional Repressor ATU1419 (Vanr) From Agrobacterium Fabrum in Complex A Palindromic Dna (C2221 Space Group) also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Structure of the Transcriptional Repressor ATU1419 (Vanr) From Agrobacterium Fabrum in Complex A Palindromic Dna (C2221 Space Group) (pdb code 6za3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of the Transcriptional Repressor ATU1419 (Vanr) From Agrobacterium Fabrum in Complex A Palindromic Dna (C2221 Space Group), PDB code: 6za3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of the Transcriptional Repressor ATU1419 (Vanr) From Agrobacterium Fabrum in Complex A Palindromic Dna (C2221 Space Group)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Transcriptional Repressor ATU1419 (Vanr) From Agrobacterium Fabrum in Complex A Palindromic Dna (C2221 Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:68.0 occ:1.00 O A:HOH405 2.8 39.9 1.0 NH2 A:ARG72 3.0 34.7 1.0 O B:HOH455 3.0 49.3 1.0 O A:HOH427 3.4 45.0 1.0 CA B:MET152 3.5 35.8 1.0 CD B:ARG155 3.6 44.6 1.0 N B:MET152 3.7 36.2 1.0 CZ A:ARG72 3.8 41.1 1.0 NE A:ARG72 3.8 37.2 1.0 CG B:GLU151 3.9 55.3 1.0 C B:GLU151 3.9 37.9 1.0 CB B:MET152 3.9 39.2 1.0 O B:GLU151 4.0 37.1 1.0 O A:HOH437 4.2 43.0 1.0 CB B:ARG155 4.3 33.0 1.0 CG B:MET152 4.3 43.4 1.0 CB B:GLU151 4.4 38.0 1.0 CE B:MET152 4.5 47.0 1.0 OE1 B:GLU151 4.5 73.5 1.0 OD1 A:ASP78 4.5 48.6 1.0 NE B:ARG155 4.5 45.3 1.0 NH1 B:ARG155 4.5 38.9 1.0 CG B:ARG155 4.6 44.8 1.0 CD B:GLU151 4.7 80.6 1.0 C B:MET152 4.7 35.5 1.0 CA B:GLU151 4.8 35.1 1.0 O B:MET152 4.9 34.0 1.0 CZ B:ARG155 4.9 52.1 1.0 O A:HOH460 5.0 60.2 1.0

Chlorine binding site 2 out of 2 in the Structure of the Transcriptional Repressor ATU1419 (Vanr) From Agrobacterium Fabrum in Complex A Palindromic Dna (C2221 Space Group)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Transcriptional Repressor ATU1419 (Vanr) From Agrobacterium Fabrum in Complex A Palindromic Dna (C2221 Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl101 b:71.2 occ:1.00 O5' F:DA1 3.1 64.9 1.0 CB B:VAL35 4.1 48.4 1.0 C3' F:DA1 4.3 56.7 1.0 C2' F:DA1 4.4 56.0 1.0 C5' F:DA1 4.4 63.4 1.0 C8 F:DA1 4.4 60.4 1.0 CH3 B:ACT303 4.5 69.2 1.0 CG2 B:VAL35 4.5 48.4 1.0 CB B:PHE33 4.7 42.8 1.0 C4' F:DA1 4.8 59.7 1.0 CG1 B:VAL35 4.8 49.1 1.0 OG B:SER36 4.9 50.1 1.0 CG B:PHE33 4.9 45.8 1.0 O4' F:DA1 4.9 59.9 1.0

A.Vigouroux, T.Meyer, A.Naretto, P.Legrand, M.Aumont-Nicaise, A.Di Cicco, S.Renoud, J.Dore, D.Levy, L.Vial, C.Lavire, S.Morera. Characterization of the First Tetrameric Transcription Factor of the Gntr Superfamily with Allosteric Regulation From the Bacterial Pathogen Agrobacterium Fabrum Nucleic Acids Res. 2020.
ISSN: ESSN 1362-4962