Chlorine in PDB 4ifa: 1.5 Angstrom Resolution Crystal Structure of An Extracellular Protein Containing A Scp Domain From Bacillus Anthracis Str. Ames

The structure of 1.5 Angstrom Resolution Crystal Structure of An Extracellular Protein Containing A Scp Domain From Bacillus Anthracis Str. Ames, PDB code: 4ifa was solved by A.S.Halavaty, G.Minasov, I.Dubrovska, J.Winsor, L.Shuvalova, S.Shatsman, S.N.Peterson, W.F.Anderson, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.67 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.115, 86.118, 89.020, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 18.3

The binding sites of Chlorine atom in the 1.5 Angstrom Resolution Crystal Structure of An Extracellular Protein Containing A Scp Domain From Bacillus Anthracis Str. Ames (pdb code 4ifa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 1.5 Angstrom Resolution Crystal Structure of An Extracellular Protein Containing A Scp Domain From Bacillus Anthracis Str. Ames, PDB code: 4ifa:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the 1.5 Angstrom Resolution Crystal Structure of An Extracellular Protein Containing A Scp Domain From Bacillus Anthracis Str. Ames


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.5 Angstrom Resolution Crystal Structure of An Extracellular Protein Containing A Scp Domain From Bacillus Anthracis Str. Ames within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:35.4 occ:0.90 O A:HOH715 2.5 39.5 1.0 O A:HOH624 2.9 39.0 1.0 N A:SER301 3.2 20.7 1.0 CA A:HIS300 3.7 19.3 1.0 CB A:ALA305 3.7 19.1 1.0 OG A:SER301 3.7 28.1 1.0 O A:HOH566 3.8 30.9 1.0 C A:HIS300 3.9 18.9 1.0 CB A:HIS300 4.0 18.8 1.0 CB A:SER301 4.0 24.2 1.0 O A:HOH727 4.1 64.7 1.0 CA A:SER301 4.2 22.3 1.0 CD2 A:HIS300 4.5 20.4 1.0 CG A:HIS300 4.6 19.7 1.0 O A:PRO198 4.8 35.8 1.0 O A:HOH531 4.8 25.0 1.0 CA A:PRO198 4.8 34.0 1.0 O A:HOH684 4.9 49.1 1.0 N A:HIS300 4.9 20.4 1.0 O A:GLN299 4.9 23.8 1.0

Chlorine binding site 2 out of 4 in the 1.5 Angstrom Resolution Crystal Structure of An Extracellular Protein Containing A Scp Domain From Bacillus Anthracis Str. Ames


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.5 Angstrom Resolution Crystal Structure of An Extracellular Protein Containing A Scp Domain From Bacillus Anthracis Str. Ames within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:35.1 occ:0.80 O A:HOH833 2.8 52.0 1.0 N A:GLU314 3.1 22.7 1.0 O A:HOH905 3.3 51.9 1.0 CG A:GLU314 3.6 29.6 1.0 CA A:SER313 3.7 21.4 1.0 C A:SER313 3.9 20.4 1.0 O A:HOH565 3.9 30.7 1.0 CB A:GLU314 3.9 24.8 1.0 O A:HOH873 3.9 50.1 1.0 CA A:GLU314 4.1 22.4 1.0 O A:HOH538 4.1 29.6 1.0 CZ A:PHE178 4.2 26.0 1.0 O A:ASN312 4.2 22.1 1.0 OG A:SER313 4.4 23.1 1.0 CB A:SER313 4.6 22.1 1.0 O A:HOH904 4.6 43.0 1.0 N A:SER313 4.8 20.2 1.0 CE1 A:PHE178 4.8 27.2 1.0 C A:ASN312 4.9 20.2 1.0 O A:HOH983 4.9 57.2 1.0 CD A:GLU314 5.0 30.8 1.0

Chlorine binding site 3 out of 4 in the 1.5 Angstrom Resolution Crystal Structure of An Extracellular Protein Containing A Scp Domain From Bacillus Anthracis Str. Ames


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.5 Angstrom Resolution Crystal Structure of An Extracellular Protein Containing A Scp Domain From Bacillus Anthracis Str. Ames within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:39.6 occ:1.00 O A:HOH923 2.6 51.4 1.0 N A:VAL48 3.1 23.7 1.0 N A:ASN49 3.1 26.5 1.0 CA A:GLN47 3.8 25.6 1.0 CB A:ASN49 3.8 28.4 1.0 CG2 A:VAL48 3.9 24.4 1.0 ND2 A:ASN49 3.9 32.9 1.0 C A:GLN47 3.9 24.2 1.0 CA A:VAL48 4.0 23.5 1.0 O A:ASN49 4.0 31.1 1.0 CA A:ASN49 4.0 27.2 1.0 C A:VAL48 4.0 23.3 1.0 CG A:GLN47 4.1 29.5 1.0 CG A:ASN49 4.2 28.5 1.0 C A:ASN49 4.5 29.7 1.0 CB A:GLN47 4.5 26.6 1.0 CB A:VAL48 4.5 22.7 1.0 O A:LYS46 4.6 32.0 1.0 N A:GLN47 4.9 25.9 1.0

Chlorine binding site 4 out of 4 in the 1.5 Angstrom Resolution Crystal Structure of An Extracellular Protein Containing A Scp Domain From Bacillus Anthracis Str. Ames


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.5 Angstrom Resolution Crystal Structure of An Extracellular Protein Containing A Scp Domain From Bacillus Anthracis Str. Ames within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:28.7 occ:0.80 O A:HOH693 2.9 42.9 1.0 O A:HOH511 3.0 22.4 1.0 O A:HOH610 3.1 33.8 1.0 N A:LYS117 3.3 20.2 0.5 N A:LYS117 3.3 20.4 0.5 O A:HOH836 3.6 37.9 1.0 CG A:LYS117 3.8 22.4 0.5 CA A:VAL116 3.9 19.0 1.0 N A:TRS407 3.9 60.4 1.0 CG1 A:VAL116 3.9 20.3 1.0 CB A:LYS117 3.9 21.7 0.5 CB A:LYS117 4.1 22.4 0.5 C A:VAL116 4.1 20.0 1.0 CA A:LYS117 4.2 20.3 0.5 CG A:LYS117 4.2 23.9 0.5 CA A:LYS117 4.2 20.7 0.5 CB A:VAL116 4.4 19.4 1.0 O A:GLN115 4.6 23.3 1.0 OE1 A:GLN95 4.7 31.0 1.0 CZ2 A:TRP71 4.7 25.6 1.0 O A:LYS117 4.7 20.3 0.5 CD A:LYS117 4.7 29.8 0.5 O A:LYS117 4.8 20.1 0.5 CD A:LYS117 4.9 23.9 0.5 CG2 A:VAL116 4.9 20.1 1.0 CH2 A:TRP71 5.0 26.3 1.0

A.S.Halavaty, G.Minasov, I.Dubrovska, J.Winsor, L.Shuvalova, S.Shatsman, S.N.Peterson, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.5 Angstrom Resolution Crystal Structure of An Extracellular Protein Containing A Scp Domain From Bacillus Anthracis Str. Ames To Be Published.