Chlorine in PDB 3to3: Crystal Structure of Petrobactin Biosynthesis Protein Asbb From Bacillus Anthracis Str. Sterne

The structure of Crystal Structure of Petrobactin Biosynthesis Protein Asbb From Bacillus Anthracis Str. Sterne, PDB code: 3to3 was solved by Y.Kim, W.Eschenfeldt, L.Stols, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.63 / 2.38
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.259, 155.923, 156.244, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 22.7

The structure of Crystal Structure of Petrobactin Biosynthesis Protein Asbb From Bacillus Anthracis Str. Sterne also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Petrobactin Biosynthesis Protein Asbb From Bacillus Anthracis Str. Sterne (pdb code 3to3). 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 Petrobactin Biosynthesis Protein Asbb From Bacillus Anthracis Str. Sterne, PDB code: 3to3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Petrobactin Biosynthesis Protein Asbb From Bacillus Anthracis Str. Sterne


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 Petrobactin Biosynthesis Protein Asbb From Bacillus Anthracis Str. Sterne within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl617 b:91.0 occ:1.00 O A:HOH718 3.0 56.4 1.0 CD A:ARG285 3.1 71.4 1.0 ND2 A:ASN152 3.3 63.2 1.0 O A:ASP148 3.4 72.7 1.0 O A:ALA277 3.5 41.5 1.0 CG A:GLN278 3.6 73.4 1.0 CG A:ARG285 3.9 62.5 1.0 CG A:ASN152 3.9 65.1 1.0 NH1 A:ARG285 4.0 47.5 1.0 OD1 A:ASN152 4.1 70.2 1.0 CB A:GLU151 4.1 82.0 1.0 CA A:GLN278 4.1 60.3 1.0 C A:ASP148 4.2 71.0 1.0 NE A:ARG285 4.2 69.5 1.0 CA A:ASP148 4.3 69.4 1.0 C A:ALA277 4.3 40.4 1.0 CB A:GLN278 4.4 57.3 1.0 OD1 A:ASP148 4.4 82.6 1.0 CB A:ASP148 4.4 74.6 1.0 N A:GLN278 4.5 49.0 1.0 CZ A:ARG285 4.6 59.6 1.0 NE2 A:GLN278 4.6 96.7 1.0 CD A:GLN278 4.6 88.5 1.0 CG A:GLU151 4.6 93.5 1.0 O A:CYS276 4.7 42.9 1.0 CG A:ASP148 4.9 85.7 1.0 SG A:CYS276 4.9 60.2 1.0 CB A:ARG285 4.9 43.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Petrobactin Biosynthesis Protein Asbb From Bacillus Anthracis Str. Sterne


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 Petrobactin Biosynthesis Protein Asbb From Bacillus Anthracis Str. Sterne within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl621 b:87.0 occ:1.00 OD1 B:ASN403 3.1 65.5 0.6 CD1 B:TYR525 4.0 51.9 1.0 CE1 B:TYR525 4.2 59.5 1.0 CG B:ASN403 4.3 59.7 0.6 CD1 B:ILE407 4.5 58.6 1.0 CA B:ASN403 4.6 56.7 0.4 CA B:ASN403 4.7 55.7 0.6 N B:ASN403 4.7 52.7 0.4 CG1 B:ILE407 4.7 55.3 1.0 N B:ASN403 4.7 52.2 0.6 CB B:LEU402 4.8 32.8 1.0 CB B:ASN403 4.8 56.5 0.4 C B:LEU402 4.8 53.1 1.0 OD1 B:ASN403 4.8 62.4 0.4 O B:LEU402 4.9 59.3 1.0 CG B:TYR525 4.9 47.7 1.0

T.D.Nusca, Y.Kim, N.Maltseva, J.Y.Lee, W.Eschenfeldt, L.Stols, M.M.Schofield, J.B.Scaglione, S.D.Dixon, D.Oves-Costales, G.L.Challis, P.C.Hanna, B.F.Pfleger, A.Joachimiak, D.H.Sherman. Functional and Structural Analysis of the Siderophore Synthetase Asbb Through Reconstitution of the Petrobactin Biosynthetic Pathway From Bacillus Anthracis. J.Biol.Chem. V. 287 16058 2012.
ISSN: ISSN 0021-9258
PubMed: 22408253
DOI: 10.1074/JBC.M112.359349