Chlorine in PDB 7pva: 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc

The structure of 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc, PDB code: 7pva was solved by C.A.Schmitz, M.Madej, J.Potempa, M.Sola, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.59 / 1.91
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	61.48, 77.29, 138.83, 82.42, 81.61, 76.51
R / Rfree (%)	15.9 / 19.2

The structure of 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc also contains other interesting chemical elements:

Fluorine	(F)	24 atoms
Magnesium	(Mg)	11 atoms
Zinc	(Zn)	6 atoms

The binding sites of Chlorine atom in the 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc (pdb code 7pva). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc, PDB code: 7pva:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl613 b:116.2 occ:1.00 H A:ASP457 2.4 88.7 1.0 HE A:ARG202 2.4 95.7 1.0 H A:LYS456 2.6 88.1 1.0 HA A:ILE455 2.8 83.3 1.0 HH21 A:ARG202 2.8 99.8 1.0 HG23 A:ILE455 2.9 83.2 1.0 N A:LYS456 3.1 73.4 1.0 HB3 A:ASP457 3.1 91.1 1.0 N A:ASP457 3.2 73.9 1.0 NE A:ARG202 3.2 79.7 1.0 HD13 A:ILE455 3.4 72.2 1.0 NH2 A:ARG202 3.5 83.1 1.0 CA A:ILE455 3.6 69.4 1.0 C A:ILE455 3.7 70.4 1.0 CG2 A:ILE455 3.8 69.3 1.0 CZ A:ARG202 3.8 83.4 1.0 HB2 A:LYS456 3.8 90.9 1.0 HG A:SER460 3.9 85.7 1.0 CB A:ASP457 3.9 75.9 1.0 CA A:ASP457 3.9 71.4 1.0 CA A:LYS456 4.0 73.7 1.0 C A:LYS456 4.1 70.8 1.0 HD12 A:ILE455 4.1 72.2 1.0 OG A:SER460 4.1 71.4 1.0 HD3 A:ARG202 4.1 90.4 1.0 HB2 A:ASP457 4.1 91.1 1.0 HG22 A:ILE455 4.1 83.2 1.0 CD1 A:ILE455 4.1 60.2 1.0 O A:ASP457 4.2 59.2 1.0 CB A:ILE455 4.2 66.6 1.0 HH22 A:ARG202 4.3 99.8 1.0 CD A:ARG202 4.3 75.3 1.0 C A:ASP457 4.3 63.5 1.0 O A:GLU454 4.4 65.2 1.0 CB A:LYS456 4.5 75.7 1.0 HG21 A:ILE455 4.5 83.2 1.0 N A:ILE455 4.8 69.1 1.0 CG1 A:ILE455 4.8 61.4 1.0 O A:ILE455 4.8 66.9 1.0 HA A:ASP457 4.8 85.7 1.0 HA A:LYS456 4.9 88.4 1.0 HD11 A:ILE455 4.9 72.2 1.0 HD2 A:ARG202 4.9 90.4 1.0 HG13 A:VAL461 4.9 67.2 1.0 HG2 A:ARG202 5.0 86.7 1.0

Chlorine binding site 2 out of 2 in the 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl613 b:110.9 occ:1.00 HE C:ARG202 2.3 97.3 1.0 H C:ASP457 2.6 74.8 1.0 HA C:ILE455 2.9 69.9 1.0 HG23 C:ILE455 3.0 68.9 1.0 HH21 C:ARG202 3.0 97.0 1.0 HB3 C:ASP457 3.0 83.1 1.0 H C:LYS456 3.0 77.0 1.0 NE C:ARG202 3.2 81.1 1.0 N C:ASP457 3.3 62.3 1.0 HD12 C:ILE455 3.4 70.4 1.0 N C:LYS456 3.5 64.1 1.0 NH2 C:ARG202 3.7 80.8 1.0 CA C:ILE455 3.7 58.2 1.0 HG C:SER460 3.7 104.4 1.0 CB C:ASP457 3.8 69.3 1.0 CG2 C:ILE455 3.9 57.4 1.0 HD3 C:ARG202 3.9 93.0 1.0 CZ C:ARG202 3.9 81.4 1.0 OG C:SER460 3.9 87.0 1.0 HD13 C:ILE455 3.9 70.4 1.0 C C:ILE455 3.9 62.7 1.0 CA C:ASP457 4.0 62.9 1.0 HB2 C:ASP457 4.1 83.1 1.0 CD1 C:ILE455 4.1 58.6 1.0 HG22 C:ILE455 4.1 68.9 1.0 O C:ASP457 4.1 56.7 1.0 CD C:ARG202 4.1 77.5 1.0 HB2 C:LYS456 4.2 88.5 1.0 O C:GLU454 4.2 59.6 1.0 C C:LYS456 4.3 63.2 1.0 C C:ASP457 4.3 57.1 1.0 CA C:LYS456 4.3 67.7 1.0 CB C:ILE455 4.3 57.5 1.0 HH22 C:ARG202 4.4 97.0 1.0 HG21 C:ILE455 4.6 68.9 1.0 HD2 C:ARG202 4.7 93.0 1.0 CB C:LYS456 4.8 73.7 1.0 HD11 C:ILE455 4.8 70.4 1.0 N C:ILE455 4.8 57.2 1.0 CG1 C:ILE455 4.8 58.0 1.0 HG13 C:VAL461 4.9 75.7 1.0 HA C:ASP457 4.9 75.5 1.0 C C:GLU454 4.9 60.1 1.0 O C:ILE455 4.9 56.5 1.0 HG2 C:ARG202 4.9 89.1 1.0

C.Schmitz, M.Madej, Z.Nowakowska, A.Cuppari, A.Jacula, M.Ksiazek, K.Mikruta, J.Wisniewski, N.Pudelko-Malik, A.Saran, N.Zeytuni, P.Mlynarz, R.J.Lamont, I.Uson, V.Siksnys, J.Potempa, M.Sola. Response Regulator Porx Coordinates Oligonucleotide Signalling and Gene Expression to Control the Secretion of Virulence Factors. Nucleic Acids Res. V. 50 12558 2022.
ISSN: ESSN 1362-4962
PubMed: 36464236
DOI: 10.1093/NAR/GKAC1103