Chlorine in PDB 8txl: Nan Regulatory Protein Full Length Mutant R148A

The structure of Nan Regulatory Protein Full Length Mutant R148A, PDB code: 8txl was solved by D.M.Wood, C.R.Horne, R.C.J.Dobson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.34 / 1.82
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	62.758, 104.728, 205.659, 90, 90, 90
R / Rfree (%)	21 / 25.2

The binding sites of Chlorine atom in the Nan Regulatory Protein Full Length Mutant R148A (pdb code 8txl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Nan Regulatory Protein Full Length Mutant R148A, PDB code: 8txl:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Nan Regulatory Protein Full Length Mutant R148A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Nan Regulatory Protein Full Length Mutant R148A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:46.1 occ:1.00 H A:GLN226 2.5 62.0 1.0 H A:ILE233 2.8 46.7 1.0 HB2 A:GLN226 2.8 74.2 1.0 HB3 A:HIS224 2.9 58.1 1.0 HG12 A:ILE233 2.9 40.1 1.0 HA A:ARG232 3.0 50.5 1.0 HD2 A:HIS224 3.0 55.4 1.0 H A:SER225 3.1 55.5 1.0 HG2 A:GLN226 3.1 68.5 1.0 HB3 A:SER97 3.1 51.1 1.0 HG A:SER97 3.2 47.3 1.0 OG A:SER97 3.3 39.4 1.0 N A:GLN226 3.3 51.6 1.0 HG2 A:ARG232 3.4 62.0 1.0 HG3 A:GLN226 3.5 68.5 1.0 CB A:GLN226 3.5 61.9 1.0 CG A:GLN226 3.5 57.0 1.0 N A:ILE233 3.6 39.0 1.0 N A:SER225 3.6 46.3 1.0 CB A:SER97 3.7 42.6 1.0 HG23 A:ILE233 3.7 41.9 1.0 CB A:HIS224 3.7 48.4 1.0 OG A:SER225 3.8 61.9 1.0 CD2 A:HIS224 3.8 46.1 1.0 CA A:ARG232 3.8 42.1 1.0 CG1 A:ILE233 3.8 33.4 1.0 HB3 A:ARG232 3.9 56.6 1.0 CA A:GLN226 4.0 50.3 1.0 O A:HOH418 4.0 40.1 1.0 HA A:HIS224 4.1 56.5 1.0 CG A:HIS224 4.1 43.4 1.0 HG13 A:ILE233 4.1 40.1 1.0 CB A:ARG232 4.2 47.1 1.0 HG A:SER225 4.2 74.3 1.0 CG A:ARG232 4.2 51.7 1.0 C A:HIS224 4.2 46.9 1.0 C A:ARG232 4.2 35.8 1.0 C A:SER225 4.2 56.8 1.0 CA A:HIS224 4.3 47.1 1.0 CA A:SER225 4.3 47.4 1.0 HB3 A:GLN226 4.3 74.2 1.0 HB2 A:SER97 4.4 51.1 1.0 HA A:SER97 4.4 45.5 1.0 HB2 A:HIS224 4.4 58.1 1.0 CB A:SER225 4.5 37.9 1.0 CG2 A:ILE233 4.5 34.9 1.0 HB3 A:SER225 4.5 45.4 1.0 CB A:ILE233 4.6 33.1 1.0 CA A:ILE233 4.7 38.6 1.0 CA A:SER97 4.7 38.0 1.0 HD11 A:ILE233 4.7 46.6 1.0 HA A:GLN226 4.7 60.4 1.0 HG3 A:ARG232 4.7 62.0 1.0 O A:GLN231 4.7 45.6 1.0 CD1 A:ILE233 4.7 38.8 1.0 HE3 A:MET101 4.8 57.3 1.0 HD13 A:ILE233 4.8 46.6 1.0 HG21 A:ILE233 4.8 41.9 1.0 O A:GLN226 4.8 57.2 1.0 O A:HOH462 4.9 40.6 1.0 N A:ARG232 4.9 42.3 1.0 C A:GLN226 5.0 58.3 1.0

Chlorine binding site 2 out of 3 in the Nan Regulatory Protein Full Length Mutant R148A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Nan Regulatory Protein Full Length Mutant R148A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:69.4 occ:1.00 HG1 B:THR216 2.1 60.2 1.0 OG1 B:THR216 2.9 50.2 1.0 O B:HOH425 3.5 46.4 1.0 HG23 B:THR216 3.5 62.6 1.0 HA B:THR216 3.5 53.1 1.0 CB B:THR216 3.8 40.8 1.0 HD3 B:LYS200 3.9 66.3 1.0 HA B:LYS200 3.9 54.6 1.0 CG2 B:THR216 4.0 52.1 1.0 CA B:THR216 4.1 44.3 1.0 HG21 B:THR216 4.1 62.6 1.0 HE3 B:LYS195 4.1 63.3 1.0 H B:THR216 4.3 49.0 1.0 N B:THR216 4.4 40.9 1.0 H B:THR201 4.5 50.3 1.0 HB B:THR216 4.7 48.9 1.0 HG2 B:LYS200 4.8 67.9 1.0 HG3 B:LYS195 4.8 49.7 1.0 CD B:LYS200 4.8 55.2 1.0 O B:ALA199 4.9 45.5 1.0 CA B:LYS200 4.9 45.5 1.0 HG22 B:THR216 4.9 62.6 1.0

Chlorine binding site 3 out of 3 in the Nan Regulatory Protein Full Length Mutant R148A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Nan Regulatory Protein Full Length Mutant R148A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl307 b:40.6 occ:1.00 H B:GLN226 2.5 54.6 1.0 H B:SER225 2.8 52.1 1.0 H B:ILE233 2.8 43.6 1.0 HG B:SER97 2.8 44.9 1.0 HG12 B:ILE233 2.9 41.6 1.0 HB3 B:HIS224 2.9 52.5 1.0 HD1 B:HIS224 2.9 50.0 1.0 HA B:ARG232 3.0 47.3 0.5 HA B:ARG232 3.0 47.5 0.5 HG2 B:GLN226 3.0 64.1 1.0 HB2 B:SER225 3.1 60.7 1.0 HB2 B:GLN226 3.2 63.2 1.0 HB3 B:SER97 3.2 36.8 1.0 OG B:SER97 3.3 37.4 1.0 N B:GLN226 3.3 45.5 1.0 N B:SER225 3.4 43.4 1.0 HG2 B:ARG232 3.5 53.6 0.5 HG2 B:ARG232 3.5 53.8 0.5 CG B:GLN226 3.6 53.4 1.0 N B:ILE233 3.6 36.4 1.0 HG3 B:GLN226 3.7 64.1 1.0 ND1 B:HIS224 3.7 41.7 1.0 CB B:GLN226 3.7 52.7 1.0 CB B:SER97 3.7 30.6 1.0 O B:HOH402 3.8 46.4 1.0 CB B:HIS224 3.8 43.8 1.0 CG1 B:ILE233 3.8 34.6 1.0 CA B:ARG232 3.9 39.4 0.5 HG23 B:ILE233 3.9 41.5 1.0 CA B:ARG232 3.9 39.6 0.5 HB3 B:ARG232 3.9 47.4 0.5 CB B:SER225 3.9 50.6 1.0 CA B:SER225 4.0 55.3 1.0 HG13 B:ILE233 4.1 41.6 1.0 HB3 B:ARG232 4.1 47.4 0.5 C B:SER225 4.2 53.2 1.0 HA B:HIS224 4.2 50.7 1.0 CA B:GLN226 4.2 48.1 1.0 CB B:ARG232 4.2 39.5 0.5 CG B:HIS224 4.2 33.2 1.0 CG B:ARG232 4.2 44.8 0.5 C B:HIS224 4.3 42.0 1.0 CG B:ARG232 4.3 44.6 0.5 CB B:ARG232 4.3 39.5 0.5 C B:ARG232 4.3 38.5 0.5 C B:ARG232 4.3 38.4 0.5 CA B:HIS224 4.3 42.2 1.0 HB2 B:SER97 4.4 36.8 1.0 HG3 B:ARG232 4.5 53.8 0.5 HB2 B:HIS224 4.5 52.5 1.0 HA B:SER97 4.5 35.8 1.0 HB3 B:SER225 4.6 60.7 1.0 CB B:ILE233 4.6 31.4 1.0 HB3 B:GLN226 4.6 63.2 1.0 CG2 B:ILE233 4.6 34.6 1.0 OG B:SER225 4.6 57.1 1.0 HD11 B:ILE233 4.6 41.7 1.0 CA B:ILE233 4.7 33.4 1.0 O B:HOH449 4.7 41.0 1.0 CD1 B:ILE233 4.7 34.7 1.0 CA B:SER97 4.8 29.8 1.0 HE3 B:MET101 4.8 49.8 1.0 O B:GLN231 4.8 36.4 1.0 HG3 B:ARG232 4.8 53.6 0.5 HA B:GLN226 4.8 57.7 1.0 HD13 B:ILE233 4.8 41.7 1.0 HG B:SER225 4.9 68.5 1.0 CE1 B:HIS224 4.9 36.6 1.0 HA B:SER225 4.9 66.3 1.0 HE21 B:GLN226 5.0 60.2 1.0 N B:ARG232 5.0 39.8 0.5 N B:ARG232 5.0 39.8 0.5 HG21 B:ILE233 5.0 41.5 1.0

D.M.Wood, R.C.J.Dobson. Structure of Isomerase Domain of the Nan-Regulatory Protein (Nanr) From Streptococcus Pneumoniae To Be Published.