Chlorine in PDB 7qnq: Structure of the AUX2 Relaxosome Protein of Plasmid PLS20

The structure of Structure of the AUX2 Relaxosome Protein of Plasmid PLS20, PDB code: 7qnq was solved by D.R.Boer, I.Crespo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.65 / 1.89
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	137.854, 137.854, 121.709, 90, 90, 90
R / Rfree (%)	18 / 20.1

The structure of Structure of the AUX2 Relaxosome Protein of Plasmid PLS20 also contains other interesting chemical elements:

Magnesium

(Mg)

10 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Chlorine atom in the Structure of the AUX2 Relaxosome Protein of Plasmid PLS20 (pdb code 7qnq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 24 binding sites of Chlorine where determined in the Structure of the AUX2 Relaxosome Protein of Plasmid PLS20, PDB code: 7qnq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 24 in the Structure of the AUX2 Relaxosome Protein of Plasmid PLS20


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 AUX2 Relaxosome Protein of Plasmid PLS20 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:78.3 occ:1.00 N A:THR111 3.0 30.9 1.0 O A:THR111 3.7 32.6 1.0 CB A:THR111 3.7 35.1 1.0 CA A:THR111 3.8 37.1 1.0 CA A:HIS110 3.9 33.0 1.0 C A:HIS110 3.9 34.6 1.0 ND1 A:HIS110 4.0 63.2 1.0 CG A:HIS110 4.1 48.9 1.0 OG1 A:THR111 4.1 32.9 1.0 O A:HOH305 4.1 45.6 1.0 CE1 A:HIS110 4.2 58.2 1.0 C A:THR111 4.2 34.6 1.0 CD2 A:HIS110 4.2 53.4 1.0 NE2 A:HIS110 4.3 51.1 1.0 CB A:HIS110 4.6 32.9 1.0 CG2 A:THR111 5.0 28.9 1.0

Chlorine binding site 2 out of 24 in the Structure of the AUX2 Relaxosome Protein of Plasmid PLS20


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 AUX2 Relaxosome Protein of Plasmid PLS20 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:58.5 occ:1.00 O D:HOH354 2.8 34.0 1.0 N A:GLU113 3.1 28.2 1.0 NE2 A:HIS110 3.7 51.1 1.0 CA A:SER112 3.7 29.0 1.0 CB A:GLU113 3.9 34.5 1.0 C A:SER112 3.9 29.1 1.0 CA A:GLU113 4.0 29.7 1.0 SD D:MET97 4.1 32.9 1.0 O A:HOH314 4.1 27.1 1.0 CD2 A:HIS110 4.2 53.4 1.0 O A:THR111 4.2 32.6 1.0 OG A:SER112 4.5 33.5 1.0 CB A:SER112 4.6 29.8 1.0 O D:HOH356 4.6 49.5 1.0 CE D:MET97 4.6 33.4 1.0 N A:SER112 4.7 27.1 1.0 CE1 A:HIS110 4.9 58.2 1.0 C A:THR111 4.9 34.6 1.0

Chlorine binding site 3 out of 24 in the Structure of the AUX2 Relaxosome Protein of Plasmid PLS20


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the AUX2 Relaxosome Protein of Plasmid PLS20 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:74.0 occ:1.00 N B:THR111 3.0 31.1 1.0 O B:HOH323 3.3 62.6 1.0 CB B:THR111 3.8 37.4 1.0 CA B:HIS110 3.8 29.6 1.0 C B:HIS110 3.9 37.1 1.0 CA B:THR111 3.9 34.0 1.0 O B:THR111 4.0 32.9 1.0 OG1 B:THR111 4.1 36.7 1.0 ND1 B:HIS110 4.2 66.3 1.0 CG B:HIS110 4.2 52.2 1.0 CE1 B:HIS110 4.4 62.5 1.0 CD2 B:HIS110 4.4 48.1 1.0 C B:THR111 4.4 33.6 1.0 O B:HOH311 4.5 45.2 1.0 NE2 B:HIS110 4.6 57.0 1.0 CB B:HIS110 4.6 35.0 1.0 N B:HIS110 4.9 36.6 1.0 O B:GLN109 4.9 39.6 1.0 O B:THR107 5.0 46.8 1.0

Chlorine binding site 4 out of 24 in the Structure of the AUX2 Relaxosome Protein of Plasmid PLS20


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the AUX2 Relaxosome Protein of Plasmid PLS20 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:58.6 occ:1.00 O A:HOH366 2.9 36.0 1.0 O B:HOH345 3.1 64.6 1.0 N B:GLU113 3.2 28.6 1.0 NE2 B:HIS110 3.6 57.0 1.0 CB B:GLU113 3.8 35.4 1.0 CA B:SER112 3.9 28.6 1.0 C B:SER112 4.0 30.8 1.0 SD A:MET97 4.0 32.6 1.0 CA B:GLU113 4.1 34.5 1.0 CD2 B:HIS110 4.1 48.1 1.0 O A:HOH313 4.2 28.6 1.0 O B:THR111 4.4 32.9 1.0 OG B:SER112 4.6 31.9 1.0 CE A:MET97 4.6 33.1 1.0 CB B:SER112 4.7 25.4 1.0 CE1 B:HIS110 4.8 62.5 1.0 O B:HOH349 4.9 63.1 1.0 N B:SER112 4.9 26.7 1.0 OE2 B:GLU113 4.9 75.2 1.0 O A:HOH331 5.0 45.3 1.0

Chlorine binding site 5 out of 24 in the Structure of the AUX2 Relaxosome Protein of Plasmid PLS20


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the AUX2 Relaxosome Protein of Plasmid PLS20 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:82.4 occ:1.00 NZ C:LYS121 2.9 42.7 1.0 OG1 B:THR107 3.2 35.6 1.0 CE C:LYS121 3.7 42.5 1.0 N B:ASP108 3.8 35.8 1.0 CA B:ASP108 4.0 42.3 1.0 CB B:ASP108 4.0 44.7 1.0 C B:THR107 4.2 41.8 1.0 CB B:THR107 4.2 31.9 1.0 O B:THR107 4.5 46.8 1.0 OE2 A:GLU90 4.5 39.8 1.0 CA B:THR107 4.8 35.9 1.0 OD2 C:ASP125 4.8 52.0 1.0

Chlorine binding site 6 out of 24 in the Structure of the AUX2 Relaxosome Protein of Plasmid PLS20


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the AUX2 Relaxosome Protein of Plasmid PLS20 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl204 b:84.9 occ:1.00 NZ B:LYS119 3.5 62.0 1.0 CE B:LYS119 3.9 65.9 1.0 CD2 A:LEU89 3.9 49.1 1.0 CD B:LYS119 4.0 46.6 1.0 CG2 B:THR107 4.3 29.1 1.0 O D:HOH319 4.4 51.2 1.0 OG1 B:THR107 4.4 35.6 1.0 CB B:THR107 4.5 31.9 1.0 O A:HOH337 4.6 51.3 1.0 CG A:LEU89 4.6 46.2 1.0

Chlorine binding site 7 out of 24 in the Structure of the AUX2 Relaxosome Protein of Plasmid PLS20


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of the AUX2 Relaxosome Protein of Plasmid PLS20 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl205 b:82.2 occ:1.00 NE2 B:HIS80 3.2 37.1 1.0 CG1 B:VAL76 3.9 37.0 1.0 CE1 B:HIS80 4.0 44.3 1.0 CD2 B:HIS80 4.2 39.4 1.0 CG2 B:VAL76 4.8 35.8 1.0 CB B:VAL76 5.0 35.3 1.0

Chlorine binding site 8 out of 24 in the Structure of the AUX2 Relaxosome Protein of Plasmid PLS20


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of the AUX2 Relaxosome Protein of Plasmid PLS20 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl201 b:77.0 occ:1.00 N C:THR111 3.2 29.3 1.0 O C:HOH327 3.3 55.4 1.0 CA C:HIS110 3.9 29.0 1.0 CB C:THR111 4.0 33.1 1.0 ND1 C:HIS110 4.0 61.0 1.0 O C:THR111 4.0 33.8 1.0 C C:HIS110 4.0 35.5 1.0 CA C:THR111 4.1 35.3 1.0 CG C:HIS110 4.1 50.0 1.0 CE1 C:HIS110 4.2 63.2 1.0 OG1 C:THR111 4.3 35.9 1.0 CD2 C:HIS110 4.4 53.0 1.0 NE2 C:HIS110 4.4 55.4 1.0 O C:HOH302 4.5 43.1 1.0 C C:THR111 4.5 38.8 1.0 CB C:HIS110 4.6 32.0 1.0

Chlorine binding site 9 out of 24 in the Structure of the AUX2 Relaxosome Protein of Plasmid PLS20


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of the AUX2 Relaxosome Protein of Plasmid PLS20 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:60.6 occ:1.00 O B:HOH356 2.7 37.0 1.0 N C:GLU113 3.0 28.6 1.0 CB C:GLU113 3.8 36.9 1.0 CA C:SER112 3.8 27.3 1.0 NE2 C:HIS110 3.8 55.4 1.0 C C:SER112 3.9 28.6 1.0 O B:HOH308 4.0 28.0 1.0 CA C:GLU113 4.0 31.6 1.0 SD B:MET97 4.2 34.1 1.0 CD2 C:HIS110 4.3 53.0 1.0 O C:HOH347 4.3 59.6 1.0 O C:THR111 4.3 33.8 1.0 OG C:SER112 4.4 32.4 1.0 O B:HOH358 4.5 47.4 1.0 CB C:SER112 4.6 28.9 1.0 N C:SER112 4.8 29.3 1.0 CE B:MET97 4.9 35.9 1.0 C C:THR111 5.0 38.8 1.0 CE1 C:HIS110 5.0 63.2 1.0

Chlorine binding site 10 out of 24 in the Structure of the AUX2 Relaxosome Protein of Plasmid PLS20


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of the AUX2 Relaxosome Protein of Plasmid PLS20 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl201 b:58.7 occ:1.00 O C:HOH353 2.8 36.2 1.0 N D:GLU113 3.1 32.5 1.0 NE2 D:HIS110 3.6 53.9 1.0 CB D:GLU113 3.7 36.2 1.0 CA D:SER112 3.8 27.7 1.0 C D:SER112 3.9 31.2 1.0 CA D:GLU113 4.0 37.3 1.0 O D:HOH317 4.0 27.8 1.0 SD C:MET97 4.1 33.8 1.0 CD2 D:HIS110 4.2 54.4 1.0 O D:THR111 4.3 31.4 1.0 OG D:SER112 4.4 32.0 1.0 CB D:SER112 4.6 28.6 1.0 CE C:MET97 4.6 33.0 1.0 CE1 D:HIS110 4.7 54.7 1.0 N D:SER112 4.8 28.5 1.0 O C:HOH331 4.8 48.0 1.0 OE2 D:GLU113 4.9 71.7 1.0 C D:THR111 5.0 32.8 1.0

I.Crespo, N.Bernardo, A.Cuppari, B.M.Calisto, J.Val-Calvo, A.Miguel-Arribas, W.J.J.Meijer, X.Carpena, F.Gil-Ortiz, M.Malfois, D.R.Boer. Structural and Biochemical Characterization of the Relaxosome Auxiliary Proteins Encoded on the Bacillus Subtilis Plasmid PLS20. Comput Struct Biotechnol J V. 20 757 2022.
ISSN: ESSN 2001-0370
PubMed: 35198129
DOI: 10.1016/J.CSBJ.2021.12.041