Chlorine in PDB 2wi8: Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis

The structure of Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis, PDB code: 2wi8 was solved by F.Peuckert, M.Miethke, A.G.Albrecht, L.-O.Essen, M.A.Marahiel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.23 / 1.55
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	54.710, 54.710, 177.660, 90.00, 90.00, 90.00
R / Rfree (%)	18.178 / 21.544

The binding sites of Chlorine atom in the Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis (pdb code 2wi8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis, PDB code: 2wi8:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis


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 the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1300 b:72.6 occ:1.00 CE2 A:PHE67 3.8 16.9 1.0 CD2 A:PHE67 4.0 16.6 1.0 CD A:PRO80 4.3 19.0 1.0 O A:HOH2041 4.3 23.2 1.0 O A:GLY65 4.3 27.9 1.0 CZ A:PHE67 4.4 16.5 1.0 CG A:PRO80 4.5 20.2 1.0 CG A:PHE67 4.7 16.9 1.0 N A:PHE67 4.9 20.1 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis


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 the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1301 b:23.6 occ:1.00 O A:HOH2200 3.2 19.9 1.0 CE A:LYS248 4.0 20.4 1.0 CB A:LYS248 4.0 17.1 1.0 N A:LYS248 4.2 16.9 1.0 CA A:LYS248 4.5 16.9 1.0 O A:HOH2193 4.6 25.9 1.0 CD2 A:LEU247 4.7 18.8 1.0 CB A:LEU247 4.7 17.3 1.0 NZ A:LYS248 4.7 22.2 1.0 CG A:LEU247 4.9 18.5 1.0 OE1 A:GLU251 4.9 17.1 1.0 O A:PRO244 4.9 24.1 1.0 CG A:LYS248 4.9 17.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis


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 the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1302 b:72.3 occ:1.00 OG1 A:THR161 3.3 19.2 1.0 O A:HOH2126 3.4 42.1 1.0 O A:ASP157 4.2 18.3 1.0 CB A:ALA292 4.3 22.2 1.0 CB A:ASP157 4.3 18.6 1.0 CG A:ASP157 4.6 22.4 1.0 CA A:ASP157 4.7 19.1 1.0 CB A:THR161 4.7 18.6 1.0 OD1 A:ASP157 4.8 23.8 1.0 C A:ASP157 4.8 17.9 1.0 NZ A:LYS164 4.8 34.2 1.0 N A:THR161 5.0 19.8 1.0

F.Peuckert, M.Miethke, A.G.Albrecht, L.-O.Essen, M.A.Marahiel. Structural Basis and Stereochemistry of Triscatecholate Siderophore Binding By Feua. Angew.Chem.Int.Ed.Engl. V. 48 7924 2009.
ISSN: ISSN 1433-7851
PubMed: 19746494
DOI: 10.1002/ANIE.200902495