Chlorine in PDB 4h4n: 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 From Bacillus Anthracis

The structure of 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 From Bacillus Anthracis, PDB code: 4h4n was solved by G.Minasov, Z.Wawrzak, L.Shuvalova, I.Dubrovska, J.Winsor, S.Grimshaw, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectiousdiseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.01 / 1.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	26.673, 40.248, 52.014, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 18.2

The binding sites of Chlorine atom in the 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 From Bacillus Anthracis (pdb code 4h4n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 From Bacillus Anthracis, PDB code: 4h4n:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:19.2 occ:0.50 CL A:CL101 0.0 19.2 0.5 CL A:CL101 1.1 22.4 0.5 O A:HOH201 2.9 12.6 1.0 N A:THR46 3.4 15.4 1.0 CA A:ILE45 3.7 14.8 1.0 N A:ARG47 3.7 12.7 1.0 CG2 A:ILE45 3.8 15.4 1.0 CD1 A:ILE45 3.9 18.6 1.0 OG1 A:THR46 4.0 21.5 1.0 C A:ILE45 4.0 14.7 1.0 O A:ARG47 4.3 11.8 1.0 CB A:ILE45 4.3 14.8 1.0 CA A:THR46 4.4 16.5 1.0 CB A:ARG47 4.4 12.9 1.0 O A:THR44 4.5 16.9 1.0 C A:THR46 4.5 14.8 1.0 CA A:ARG47 4.5 12.0 1.0 CG1 A:ILE45 4.7 16.1 1.0 CG A:ARG47 4.7 14.8 1.0 CB A:THR46 4.8 18.2 1.0 C A:ARG47 4.9 11.4 1.0 N A:ILE45 4.9 15.0 1.0

Chlorine binding site 2 out of 4 in the 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:22.4 occ:0.50 CL A:CL101 0.0 22.4 0.5 CL A:CL101 1.1 19.2 0.5 OG1 A:THR46 3.4 21.5 1.0 N A:THR46 3.6 15.4 1.0 O A:HOH201 3.8 12.6 1.0 N A:ARG47 3.9 12.7 1.0 CG A:ARG47 4.3 14.8 1.0 CB A:ARG47 4.3 12.9 1.0 CA A:THR46 4.4 16.5 1.0 CA A:ILE45 4.4 14.8 1.0 CB A:THR46 4.5 18.2 1.0 C A:ILE45 4.5 14.7 1.0 C A:THR46 4.6 14.8 1.0 CA A:ARG47 4.7 12.0 1.0 CD A:ARG47 4.8 16.0 1.0 O A:THR44 4.8 16.9 1.0 CG2 A:ILE45 4.8 15.4 1.0 CD1 A:ILE45 4.9 18.6 1.0 O A:ARG47 4.9 11.8 1.0

Chlorine binding site 3 out of 4 in the 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl102 b:21.4 occ:0.50 NZ A:LYS41 0.6 19.4 0.5 CE A:LYS41 1.6 18.7 0.5 CD A:LYS41 2.2 18.2 0.5 CG A:LYS41 2.9 16.6 0.5 O A:HOH226 3.5 26.4 1.0 CB A:LYS41 3.6 14.8 0.5 CB A:LYS41 3.7 15.0 0.5 OE1 A:GLN43 4.1 26.8 1.0 O A:CYS42 4.2 13.9 1.0 O A:ILE34 4.3 9.5 1.0 CG A:LYS41 4.4 16.4 0.5 CB A:GLN43 4.5 14.8 1.0 C A:LYS41 4.7 12.8 0.5 C A:LYS41 4.7 12.9 0.5 C A:CYS42 4.8 12.3 1.0 CA A:LYS41 4.8 13.6 0.5 CA A:LYS41 4.9 13.7 0.5 O A:LYS41 4.9 14.0 0.5 O A:LYS41 4.9 13.9 0.5 O A:HOH287 4.9 25.9 0.5

Chlorine binding site 4 out of 4 in the 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl103 b:25.9 occ:1.00 O A:HOH249 3.1 29.6 1.0 O A:HOH264 3.1 39.9 1.0 O A:HOH283 3.4 90.4 0.5 CA A:PRO11 3.8 10.1 1.0 CB A:PRO40 3.8 13.3 1.0 CB A:PRO11 3.8 11.2 1.0 CG A:PRO40 3.9 14.9 1.0 CE A:LYS9 4.0 17.4 1.0 CD A:PRO12 4.1 10.4 1.0 O A:HOH280 4.1 41.8 0.5 CG A:PRO11 4.1 11.8 1.0 CD A:LYS9 4.3 15.6 1.0 N A:PRO11 4.5 9.6 1.0 CG A:LYS9 4.5 13.3 1.0 NZ A:LYS9 4.6 19.0 1.0 CA A:PRO40 4.8 12.0 1.0 CD A:PRO11 4.9 10.3 1.0 O A:HOH267 4.9 50.6 0.5 C A:PRO11 4.9 9.2 1.0 N A:PRO12 4.9 9.4 1.0

G.Minasov, Z.Wawrzak, L.Shuvalova, I.Dubrovska, J.Winsor, S.Grimshaw, L.Papazisi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 From Bacillus Anthracis. To Be Published.