Chlorine in PDB 4qgo: Crystal Structure of Nuca From Streptococcus Agalactiae with No Metal Bound

The structure of Crystal Structure of Nuca From Streptococcus Agalactiae with No Metal Bound, PDB code: 4qgo was solved by L.C.Pedersen, A.F.Moon, P.Gaudu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.55 / 1.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	37.591, 57.131, 62.422, 109.40, 97.08, 90.16
R / Rfree (%)	15.3 / 18

The binding sites of Chlorine atom in the Crystal Structure of Nuca From Streptococcus Agalactiae with No Metal Bound (pdb code 4qgo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Nuca From Streptococcus Agalactiae with No Metal Bound, PDB code: 4qgo:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Nuca From Streptococcus Agalactiae with No Metal Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Nuca From Streptococcus Agalactiae with No Metal Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:12.6 occ:1.00 O B:HOH599 3.1 25.5 1.0 N A:ASP233 3.3 7.9 1.0 N A:ARG205 3.3 7.3 1.0 CB A:LYS204 3.5 9.0 1.0 CA A:LYS204 3.5 8.2 1.0 N A:GLN232 3.6 8.4 1.0 ND2 B:ASN115 3.6 16.6 1.0 CB A:GLN232 3.6 9.0 1.0 CG A:ASP233 3.6 16.2 1.0 CB A:ASP233 3.8 10.1 1.0 OD1 A:ASP233 3.9 11.4 1.0 CG A:LYS204 3.9 14.0 1.0 CA A:GLN232 3.9 8.1 1.0 O A:ARG205 3.9 8.4 1.0 OD2 A:ASP233 4.0 13.5 1.0 C A:LYS204 4.0 8.5 1.0 C A:GLN232 4.0 10.7 1.0 CB A:SER231 4.1 8.4 1.0 CA A:ASP233 4.1 8.6 1.0 C A:SER231 4.4 7.8 1.0 CA A:ARG205 4.4 9.2 1.0 CD A:LYS204 4.4 14.4 1.0 OG A:SER231 4.5 8.0 1.0 CB A:ARG205 4.5 9.5 1.0 C A:ARG205 4.6 6.4 1.0 CG A:GLN232 4.6 10.6 1.0 CA A:SER231 4.7 6.2 1.0 CG B:ASN115 4.8 13.6 1.0 O B:HOH665 4.8 34.0 1.0 N A:LYS204 4.8 9.1 1.0 O A:ASN203 4.9 15.4 0.5 CD A:GLN232 4.9 12.6 1.0 OE1 A:GLN232 5.0 12.5 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Nuca From Streptococcus Agalactiae with No Metal Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Nuca From Streptococcus Agalactiae with No Metal Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:16.4 occ:1.00 O A:HOH668 2.9 36.7 1.0 O A:HOH410 3.1 9.4 1.0 N A:ALA247 3.3 6.5 1.0 O A:HOH648 3.3 36.9 1.0 CG A:HIS177 3.5 8.3 1.0 ND1 A:HIS177 3.5 13.0 1.0 CB A:HIS177 3.6 7.2 1.0 CB A:ALA247 3.8 9.8 1.0 CG A:GLN246 3.9 6.4 1.0 CE2 A:TYR140 4.0 10.0 1.0 CA A:GLN246 4.1 4.2 1.0 CD2 A:HIS177 4.1 10.2 1.0 CA A:ALA247 4.1 8.7 1.0 C A:GLN246 4.1 6.8 1.0 CE1 A:HIS177 4.2 14.0 1.0 NE2 A:HIS177 4.5 12.7 1.0 CB A:GLN246 4.5 6.4 1.0 O A:HOH563 4.5 30.3 1.0 OH A:TYR140 4.6 13.5 1.0 CZ A:TYR140 4.8 9.8 1.0 CD A:GLN246 4.8 5.8 1.0 CD2 A:TYR140 4.8 9.1 1.0 O A:HOH449 4.9 17.1 1.0 CA A:HIS177 5.0 5.4 1.0 O A:HOH663 5.0 31.8 1.0 O A:HOH539 5.0 24.1 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Nuca From Streptococcus Agalactiae with No Metal Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Nuca From Streptococcus Agalactiae with No Metal Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:13.0 occ:1.00 O B:HOH573 3.0 27.8 1.0 N B:ASP233 3.2 9.8 1.0 N B:ARG205 3.3 8.8 1.0 CB B:LYS204 3.5 7.8 1.0 CA B:LYS204 3.5 7.6 1.0 CB B:GLN232 3.6 9.7 1.0 N B:GLN232 3.6 7.5 1.0 CG B:ASP233 3.6 11.7 1.0 CB B:ASP233 3.8 11.4 1.0 OD1 B:ASP233 3.8 10.7 1.0 CA B:GLN232 3.9 10.0 1.0 O B:ARG205 3.9 8.5 1.0 CG B:LYS204 3.9 12.6 1.0 OD2 B:ASP233 3.9 13.8 1.0 C B:LYS204 4.0 10.2 1.0 C B:GLN232 4.0 11.1 1.0 CB B:SER231 4.0 7.1 1.0 CA B:ASP233 4.1 9.4 1.0 C B:SER231 4.3 7.2 1.0 CA B:ARG205 4.4 8.9 1.0 CD B:LYS204 4.4 19.6 1.0 OG B:SER231 4.5 7.5 1.0 CB B:ARG205 4.5 8.1 1.0 C B:ARG205 4.6 8.7 1.0 CG B:GLN232 4.6 12.1 1.0 CA B:SER231 4.6 6.6 1.0 N B:LYS204 4.8 9.2 1.0 O B:HOH671 4.8 32.6 1.0 O B:ASN203 4.9 15.9 0.5 CD B:GLN232 4.9 15.1 1.0 OE1 B:GLN232 5.0 12.7 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Nuca From Streptococcus Agalactiae with No Metal Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Nuca From Streptococcus Agalactiae with No Metal Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl307 b:16.7 occ:0.86 O B:HOH407 3.1 10.1 1.0 O B:HOH608 3.2 24.1 1.0 N B:ALA247 3.3 8.3 1.0 CG B:HIS177 3.5 11.3 1.0 ND1 B:HIS177 3.5 13.1 1.0 CB B:HIS177 3.6 6.9 1.0 CG B:GLN246 3.8 6.3 1.0 CB B:ALA247 3.8 12.6 1.0 CE2 B:TYR140 3.9 11.2 1.0 CA B:GLN246 4.1 5.3 1.0 CD2 B:HIS177 4.1 11.6 1.0 CE1 B:HIS177 4.1 18.6 1.0 C B:GLN246 4.2 8.0 1.0 CA B:ALA247 4.2 11.0 1.0 NE2 B:HIS177 4.4 16.1 1.0 CB B:GLN246 4.5 6.5 1.0 OH B:TYR140 4.5 15.1 1.0 CD B:GLN246 4.7 7.2 1.0 CZ B:TYR140 4.7 10.0 1.0 CD2 B:TYR140 4.8 9.8 1.0 O B:HOH461 4.8 16.6 1.0 O B:HOH707 4.9 40.7 1.0 CA B:HIS177 5.0 5.4 1.0

A.F.Moon, P.Gaudu, L.C.Pedersen. Structural Characterization of the Virulence Factor Nuclease A From Streptococcus Agalactiae. Acta Crystallogr.,Sect.D V. 70 2937 2014.
ISSN: ISSN 0907-4449
PubMed: 25372684
DOI: 10.1107/S1399004714019725