Chlorine in PDB 7mq1: C9A Streptococcus Pneumoniae Cstr in the Reduced State, Space Group C2

The structure of C9A Streptococcus Pneumoniae Cstr in the Reduced State, Space Group C2, PDB code: 7mq1 was solved by J.N.Fakhoury, G.Gonzalez-Gutierrez, D.P.Giedroc, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.04 / 2.02
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.302, 54.869, 57.514, 90, 115.73, 90
R / Rfree (%)	20.5 / 25.8

The binding sites of Chlorine atom in the C9A Streptococcus Pneumoniae Cstr in the Reduced State, Space Group C2 (pdb code 7mq1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the C9A Streptococcus Pneumoniae Cstr in the Reduced State, Space Group C2, PDB code: 7mq1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the C9A Streptococcus Pneumoniae Cstr in the Reduced State, Space Group C2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of C9A Streptococcus Pneumoniae Cstr in the Reduced State, Space Group C2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:78.4 occ:1.00 O A:HOH228 2.7 61.5 1.0 NH1 A:ARG41 2.9 62.9 1.0 CG A:GLU45 3.7 40.4 1.0 O A:HOH226 3.9 50.7 1.0 CB A:GLU45 4.0 32.7 1.0 CZ A:ARG41 4.1 61.8 1.0 OG A:SER42 4.2 43.2 1.0 CA A:SER42 4.2 37.8 1.0 CD A:ARG41 4.3 61.9 1.0 CB A:SER42 4.5 42.9 1.0 O A:HOH223 4.6 64.7 1.0 NE A:ARG41 4.7 69.7 1.0 CD A:GLU45 4.7 42.9 1.0 N A:SER42 4.9 34.6 1.0

Chlorine binding site 2 out of 5 in the C9A Streptococcus Pneumoniae Cstr in the Reduced State, Space Group C2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of C9A Streptococcus Pneumoniae Cstr in the Reduced State, Space Group C2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl102 b:84.6 occ:1.00 O B:HOH231 2.4 71.5 1.0 O B:HOH211 3.3 43.3 1.0 OE2 B:GLU45 4.1 37.2 1.0 NH2 A:ARG41 4.1 53.6 1.0 CZ A:ARG41 4.2 61.8 1.0 OE1 B:GLU45 4.3 31.1 1.0 CD B:GLU45 4.3 44.1 1.0 NH1 A:ARG41 4.3 62.9 1.0 NE A:ARG41 4.7 69.7 1.0

Chlorine binding site 3 out of 5 in the C9A Streptococcus Pneumoniae Cstr in the Reduced State, Space Group C2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of C9A Streptococcus Pneumoniae Cstr in the Reduced State, Space Group C2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl103 b:90.4 occ:1.00 O A:HOH203 3.5 58.3 1.0 NE2 A:GLN16 3.9 67.0 1.0 NE A:ARG12 4.0 75.7 1.0 CD A:ARG12 4.5 56.5 1.0 O A:HOH243 4.6 64.0 1.0 CB A:SER43 4.6 38.3 1.0 OE1 A:GLN16 4.7 57.0 1.0 CD A:GLN16 4.7 62.3 1.0 O A:ALA39 4.9 41.4 1.0

Chlorine binding site 4 out of 5 in the C9A Streptococcus Pneumoniae Cstr in the Reduced State, Space Group C2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of C9A Streptococcus Pneumoniae Cstr in the Reduced State, Space Group C2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl101 b:79.7 occ:1.00 O B:HOH202 2.3 72.7 1.0 NH2 B:ARG46 3.5 78.3 1.0 NE B:ARG46 3.9 63.4 1.0 CZ B:ARG46 4.2 59.5 1.0 CE B:MET50 4.8 54.4 1.0 SD B:MET50 4.9 46.4 1.0

Chlorine binding site 5 out of 5 in the C9A Streptococcus Pneumoniae Cstr in the Reduced State, Space Group C2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of C9A Streptococcus Pneumoniae Cstr in the Reduced State, Space Group C2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl101 b:77.3 occ:1.00 O C:HOH223 3.7 59.5 1.0 CE2 C:TYR6 4.5 67.6 1.0 CD1 C:ILE51 4.5 42.4 1.0 CG1 C:ILE51 4.5 39.5 1.0 CG2 C:ILE51 4.7 33.6 1.0 CD2 C:TYR6 4.8 61.6 1.0

J.N.Fakhoury, Y.Zhang, K.A.Edmonds, M.Bringas, J.L.Luebke, G.Gonzalez-Gutierrez, D.A.Capdevila, D.P.Giedroc. Functional Asymmetry and Chemical Reactivity of Csor Family Persulfide Sensors. Nucleic Acids Res. V. 49 12556 2021.
ISSN: ESSN 1362-4962
PubMed: 34755876
DOI: 10.1093/NAR/GKAB1040