Chlorine in PDB 3be5: Crystal Structure of Fite (Crystal Form 1), A Group III Periplasmic Siderophore Binding Protein

The structure of Crystal Structure of Fite (Crystal Form 1), A Group III Periplasmic Siderophore Binding Protein, PDB code: 3be5 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)	47.04 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.656, 113.633, 224.521, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 24.5

The binding sites of Chlorine atom in the Crystal Structure of Fite (Crystal Form 1), A Group III Periplasmic Siderophore Binding Protein (pdb code 3be5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Fite (Crystal Form 1), A Group III Periplasmic Siderophore Binding Protein, PDB code: 3be5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Fite (Crystal Form 1), 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 1), A Group III Periplasmic Siderophore Binding Protein within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:30.3 occ:1.00 NH1 C:ARG246 2.9 41.6 1.0 NH2 C:ARG76 3.2 27.1 1.0 NH1 C:ARG76 3.3 26.6 1.0 NH1 C:ARG284 3.5 22.1 1.0 CZ C:ARG246 3.7 41.1 1.0 CD C:ARG284 3.7 21.7 1.0 CZ C:ARG76 3.7 25.8 1.0 CD C:ARG246 4.0 31.6 1.0 NE C:ARG246 4.1 38.7 1.0 CG C:ARG246 4.1 30.5 1.0 CZ C:ARG284 4.5 23.4 1.0 NH2 C:ARG246 4.5 41.6 1.0 NE C:ARG284 4.6 22.8 1.0 CB C:ARG246 4.7 28.8 1.0 CG C:ARG284 4.8 21.2 1.0 O C:HOH781 4.8 36.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Fite (Crystal Form 1), 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 1), A Group III Periplasmic Siderophore Binding Protein within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:41.3 occ:1.00 O B:HOH729 3.3 42.2 1.0 NZ C:LYS127 3.3 34.6 1.0 CG B:ARG68 3.5 25.8 1.0 NE C:ARG124 3.5 29.8 1.0 CD B:ARG68 3.6 31.1 1.0 CD B:PRO69 3.7 22.5 1.0 O B:HOH459 3.9 23.9 1.0 CG C:ARG124 4.0 30.4 1.0 CB B:ARG68 4.0 22.7 1.0 CE C:LYS127 4.0 32.3 1.0 CD C:LYS127 4.1 29.1 1.0 CB C:ARG124 4.1 30.6 1.0 CD C:ARG124 4.2 29.0 1.0 CA C:ARG124 4.3 30.9 1.0 NH2 C:ARG124 4.3 32.4 1.0 CZ C:ARG124 4.4 30.1 1.0 CG B:PRO69 4.5 23.2 1.0 CA B:ARG68 4.6 22.6 1.0 N B:PRO69 4.9 22.8 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