Chlorine in PDB 2why: Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin

The structure of Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin, PDB code: 2why 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)	19.51 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.530, 63.140, 55.530, 90.00, 110.44, 90.00
R / Rfree (%)	15.749 / 19.12

The structure of Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin also contains other interesting chemical elements:

Iron

(Fe)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin (pdb code 2why). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin, PDB code: 2why:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in the Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin


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 Complexed with Ferri-Bacillibactin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1302 b:66.1 occ:1.00 OE1 A:GLU208 3.4 32.6 1.0 NZ A:LYS173 3.5 29.0 1.0 N A:ASN207 3.9 28.1 1.0 CE A:LYS173 4.0 30.8 1.0 ND2 A:ASN207 4.1 30.6 0.5 CD A:GLU208 4.2 33.4 1.0 OE2 A:GLU208 4.3 34.4 0.5 CB A:ASN207 4.4 29.1 1.0 CB A:PRO206 4.4 26.8 1.0 O A:HOH2100 4.4 41.6 1.0 CG A:MET226 4.4 25.6 1.0 CA A:PRO206 4.5 26.7 1.0 CG A:ASN207 4.6 30.1 1.0 C A:PRO206 4.7 27.3 1.0 CA A:ASN207 4.8 28.2 1.0 CD A:LYS173 4.8 27.3 1.0 CA A:MET226 4.9 24.0 1.0 CB A:MET226 5.0 24.1 1.0

Chlorine binding site 2 out of 11 in the Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin


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 Complexed with Ferri-Bacillibactin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1303 b:60.5 occ:1.00 N A:THR120 3.1 30.6 1.0 O A:THR120 3.7 30.6 1.0 CA A:THR119 3.9 31.4 1.0 CA A:THR120 4.0 30.4 1.0 C A:THR119 4.0 30.9 1.0 CB A:THR120 4.1 30.6 1.0 O A:GLY118 4.2 32.1 1.0 C A:THR120 4.2 30.3 1.0 O A:HOH2055 4.3 57.1 1.0 CB A:SER115 4.3 31.0 1.0 CG2 A:THR119 4.4 31.4 1.0 OG1 A:THR120 4.5 30.2 1.0 CB A:THR119 4.8 31.4 1.0 N A:THR119 4.8 31.6 1.0 C A:GLY118 4.9 32.0 1.0

Chlorine binding site 3 out of 11 in the Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin


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 Complexed with Ferri-Bacillibactin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1304 b:65.4 occ:1.00 O A:HOH2104 2.9 36.3 1.0 N A:ASP237 3.2 27.0 1.0 OD2 A:ASP237 3.4 33.0 0.5 CG A:ASP237 3.7 30.2 0.5 CB A:ASP237 3.8 29.2 1.0 CA A:SER236 3.8 25.0 1.0 C A:SER236 4.0 25.7 1.0 CA A:ASP237 4.1 28.3 1.0 CG A:PRO274 4.1 25.2 1.0 O A:HOH2126 4.2 29.3 1.0 O A:PHE235 4.3 23.4 1.0 OG A:SER236 4.3 26.8 1.0 OD1 A:ASP237 4.6 31.1 0.5 CB A:SER236 4.6 25.3 1.0 N A:ASP238 4.7 28.5 1.0 O A:HOH2125 4.8 49.1 1.0 N A:SER236 4.9 24.4 1.0

Chlorine binding site 4 out of 11 in the Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin


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 the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1305 b:65.5 occ:1.00 O A:HOH2132 2.7 30.9 1.0 O A:HOH2082 3.0 57.4 1.0 OD1 A:ASP200 3.6 30.9 1.0 NE1 A:TRP130 3.7 26.8 1.0 NZ A:LYS284 3.9 25.6 1.0 CD1 A:TRP130 4.1 26.8 1.0 CG A:ASP200 4.4 27.9 1.0 OD2 A:ASP200 4.5 27.7 1.0 CE A:LYS284 4.5 25.5 1.0 CA A:SER128 4.5 27.1 1.0 CB A:SER195 4.6 24.8 1.0 O A:SER195 4.7 25.2 1.0 OG A:SER195 4.8 27.4 1.0 CE2 A:TRP130 4.9 25.5 1.0 O A:SER127 4.9 27.1 1.0 CB A:SER128 5.0 27.1 1.0

Chlorine binding site 5 out of 11 in the Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1306 b:79.5 occ:1.00 O A:HOH2067 2.8 55.3 1.0 OD2 A:ASP157 2.9 44.4 1.0 CG A:ASP157 3.4 39.8 1.0 CB A:ASP153 3.5 34.9 1.0 O A:ASP153 3.6 35.1 1.0 OD1 A:ASP157 3.7 42.5 1.0 C A:ASP153 3.8 35.5 1.0 CG2 A:VAL285 4.2 20.6 0.5 CA A:ASP153 4.2 35.0 1.0 N A:TYR154 4.2 35.6 1.0 CB A:ASP157 4.5 37.1 1.0 CG A:ASP153 4.6 34.8 0.5 CA A:TYR154 4.7 35.7 1.0 CG1 A:VAL285 4.7 23.0 0.5 OD2 A:ASP153 4.9 35.3 0.5

Chlorine binding site 6 out of 11 in the Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1307 b:57.3 occ:1.00 N A:LEU220 3.0 22.5 0.5 N A:LEU220 3.0 22.7 0.5 OE1 A:GLU221 3.1 24.8 1.0 CA A:SER219 3.6 22.8 1.0 CB A:LEU220 3.6 23.1 0.5 CB A:LEU220 3.7 23.4 0.5 C A:SER219 3.8 22.7 1.0 CB A:SER219 3.8 22.7 1.0 CA A:LEU220 3.9 23.1 0.5 CA A:LEU220 3.9 22.9 0.5 O A:HOH2072 4.0 75.5 1.0 CD A:GLU221 4.1 27.3 1.0 CG A:LEU220 4.1 24.1 0.5 O A:HOH2096 4.2 30.0 1.0 OE2 A:GLU221 4.4 32.0 1.0 N A:GLU221 4.5 22.4 1.0 CL A:CL1309 4.6 95.3 1.0 CD1 A:LEU220 4.6 24.6 0.5 C A:LEU220 4.7 22.7 0.5 C A:LEU220 4.8 22.8 0.5 O A:SER219 5.0 22.3 1.0 OG A:SER219 5.0 22.4 1.0 N A:SER219 5.0 23.4 1.0

Chlorine binding site 7 out of 11 in the Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1308 b:71.0 occ:1.00 C A:SER64 3.8 33.9 1.0 O A:SER64 3.8 34.2 1.0 N A:GLY65 4.0 33.3 1.0 CA A:GLY65 4.2 33.2 1.0 CA A:SER64 4.3 34.1 1.0 CB A:SER64 5.0 34.5 1.0

Chlorine binding site 8 out of 11 in the Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1309 b:95.3 occ:1.00 O A:HOH2072 3.2 75.5 1.0 OD1 A:ASN183 3.8 30.5 1.0 O A:GLY182 4.4 27.8 1.0 CL A:CL1307 4.6 57.3 1.0 O A:HOH2052 4.6 71.4 1.0

Chlorine binding site 9 out of 11 in the Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1310 b:87.5 occ:1.00 O A:HOH2124 2.8 52.2 1.0 ND2 A:ASN270 4.0 25.7 1.0 CD2 A:LEU247 4.3 37.8 1.0 CD1 A:PHE235 4.4 27.5 1.0 CG1 A:VAL269 4.6 24.1 1.0 O A:PHE235 5.0 23.4 1.0 CE1 A:PHE235 5.0 28.1 1.0

Chlorine binding site 10 out of 11 in the Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the Triscatecholate Siderophore Binding Protein Feua From Bacillus Subtilis Complexed with Ferri-Bacillibactin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1311 b:67.6 occ:1.00 CA A:ALA211 4.0 28.8 1.0 O A:LYS210 4.1 30.5 1.0 CB A:ALA211 4.3 29.3 1.0 NZ A:LYS213 4.4 36.2 1.0 N A:ALA211 4.4 28.9 1.0 C A:LYS210 4.4 29.4 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