Chlorine in PDB 3be6: Crystal Structure of Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein

The structure of Crystal Structure of Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein, PDB code: 3be6 was solved by R.Shi, A.Matte, M.Cygler, Montreal-Kingston Bacterial Structuralgenomics Initiative (Bsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.45 / 1.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.815, 109.120, 221.992, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 21.9

The structure of Crystal Structure of Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein (pdb code 3be6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein, PDB code: 3be6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Crystal Structure of Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein


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 Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:27.1 occ:1.00 NZ A:LYS127 3.3 27.2 1.0 NE A:ARG124 3.4 25.4 1.0 CE A:LYS127 3.9 23.9 1.0 CD A:LYS127 3.9 20.5 1.0 NH1 A:ARG124 3.9 28.2 1.0 CG A:ARG124 4.0 21.7 1.0 CZ A:ARG124 4.1 27.4 1.0 CB A:ARG124 4.2 20.1 1.0 CD A:ARG124 4.3 23.3 1.0 CA A:ARG124 4.4 19.9 1.0

Chlorine binding site 2 out of 7 in the Crystal Structure of Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein


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 Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:30.4 occ:1.00 NH1 C:ARG246 3.0 36.6 1.0 NH2 C:ARG76 3.1 21.1 1.0 NH1 C:ARG76 3.3 21.7 1.0 NH1 C:ARG284 3.4 20.2 1.0 CZ C:ARG246 3.5 34.9 1.0 CD C:ARG284 3.6 18.0 1.0 CZ C:ARG76 3.7 21.2 1.0 NE C:ARG246 3.9 32.7 1.0 CD C:ARG246 4.1 27.6 1.0 CG C:ARG246 4.1 26.7 1.0 NH2 C:ARG246 4.2 36.0 1.0 CZ C:ARG284 4.4 20.6 1.0 CD1 C:ILE288 4.4 15.2 0.5 NE C:ARG284 4.4 18.6 1.0 CG C:ARG284 4.7 17.2 1.0 CB C:ARG246 4.8 24.9 1.0 O C:HOH910 4.9 32.1 1.0 CD1 C:ILE288 4.9 16.8 0.5

Chlorine binding site 3 out of 7 in the Crystal Structure of Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein


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 Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl405 b:26.4 occ:1.00 NZ C:LYS127 3.0 26.1 1.0 NH1 C:ARG124 3.1 21.4 0.5 NE C:ARG124 3.4 18.7 0.5 CD C:ARG124 3.4 21.6 0.5 CG C:ARG124 3.7 19.1 0.5 CG B:ARG68 3.7 17.4 1.0 CD B:PRO69 3.7 16.8 1.0 CG C:ARG124 3.8 20.3 0.5 CD B:ARG68 3.8 21.0 1.0 CB C:ARG124 3.9 19.6 0.5 CB B:ARG68 3.9 16.0 1.0 CE C:LYS127 3.9 23.8 1.0 CB C:ARG124 4.0 19.2 0.5 CD C:ARG124 4.0 18.5 0.5 CZ C:ARG124 4.1 22.2 0.5 CD C:LYS127 4.1 21.2 1.0 CA C:ARG124 4.1 19.4 0.5 CA C:ARG124 4.1 19.3 0.5 NE C:ARG124 4.2 22.2 0.5 CA B:ARG68 4.3 16.1 1.0 CZ C:ARG124 4.4 18.9 0.5 NH2 C:ARG124 4.4 18.2 0.5 NE B:ARG68 4.5 22.6 1.0 O B:HOH709 4.6 25.8 1.0 CG B:PRO69 4.7 17.4 1.0 N B:PRO69 4.9 16.9 1.0 N C:ARG124 5.0 19.8 1.0

Chlorine binding site 4 out of 7 in the Crystal Structure of Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein


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 Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl402 b:27.9 occ:1.00 O D:HOH1206 2.9 39.7 1.0 NH2 D:ARG76 3.1 19.4 1.0 NH1 D:ARG284 3.4 20.4 1.0 NH1 D:ARG76 3.5 20.7 1.0 NH1 D:ARG246 3.5 35.4 1.0 CD D:ARG284 3.6 17.8 1.0 CD D:ARG246 3.6 28.0 1.0 CZ D:ARG76 3.7 20.1 1.0 CZ D:ARG246 3.8 34.4 1.0 NE D:ARG246 3.8 32.2 1.0 CG D:ARG246 4.0 27.4 1.0 CZ D:ARG284 4.4 20.4 1.0 CD1 D:ILE288 4.5 16.8 1.0 NE D:ARG284 4.5 18.7 1.0 CB D:ARG246 4.5 26.1 1.0 NH2 D:ARG246 4.6 35.7 1.0 CG D:ARG284 4.8 17.9 1.0 O D:HOH609 4.8 26.4 1.0 O D:HOH1015 4.8 33.9 1.0 O D:HOH1105 4.9 34.3 1.0

Chlorine binding site 5 out of 7 in the Crystal Structure of Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein


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 Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl403 b:21.7 occ:1.00 O D:HOH927 3.1 31.2 1.0 N D:THR131 3.3 16.6 1.0 NH1 D:ARG30 3.4 19.7 1.0 O D:HOH659 3.6 21.5 1.0 CG1 D:VAL32 3.7 19.5 1.0 CA D:PRO130 3.7 16.2 1.0 O D:THR131 3.8 17.4 1.0 CG D:GLU126 4.0 22.1 1.0 C D:PRO130 4.0 16.6 1.0 CA D:THR131 4.2 17.2 1.0 O D:ALA129 4.3 15.8 1.0 CB D:THR131 4.4 16.9 1.0 C D:THR131 4.5 16.8 1.0 OE2 D:GLU126 4.5 27.0 1.0 CZ D:ARG30 4.6 20.0 1.0 CB D:GLU126 4.6 20.1 1.0 CA D:GLU126 4.6 20.1 1.0 CD D:GLU126 4.7 22.5 1.0 O D:HOH605 4.7 19.5 1.0 CB D:PRO130 4.7 15.9 1.0 N D:PRO130 4.7 15.9 1.0 OG1 D:THR131 4.8 18.0 1.0 C D:ALA129 4.9 15.9 1.0 CB D:VAL32 4.9 19.2 1.0 CG2 D:VAL32 4.9 19.3 1.0 O D:GLU126 5.0 19.2 1.0

Chlorine binding site 6 out of 7 in the Crystal Structure of Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein


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 Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl406 b:31.2 occ:1.00 NH1 D:ARG124 3.4 26.4 1.0 NH2 D:ARG124 3.5 26.3 1.0 CZ D:ARG124 3.9 25.8 1.0 CG D:PRO121 4.3 27.8 1.0 CD D:PRO121 4.6 28.3 1.0

Chlorine binding site 7 out of 7 in the Crystal Structure of Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein


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 Fite (Crystal Form 2), A Group III Periplasmic Siderophore Binding Protein within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl407 b:30.6 occ:1.00 NZ D:LYS127 3.0 28.3 1.0 NE D:ARG124 3.2 25.1 1.0 CG D:ARG124 3.7 21.6 1.0 CE D:LYS127 3.9 25.8 1.0 CD D:ARG124 3.9 23.3 1.0 CB D:ARG124 4.0 20.4 1.0 NH2 D:ARG124 4.0 26.3 1.0 CZ D:ARG124 4.1 25.8 1.0 CD D:LYS127 4.2 23.5 1.0 CA D:ARG124 4.2 20.2 1.0

R.Shi, A.Proteau, J.Wagner, Q.Cui, E.O.Purisima, A.Matte, M.Cygler. Trapping Open and Closed Forms of Fite-A Group III Periplasmic Binding Protein. Proteins V. 75 598 2008.
ISSN: ISSN 0887-3585
PubMed: 19004000
DOI: 10.1002/PROT.22272