Chlorine in PDB 3dx5: Crystal Structure of the Probable 3-Dhs Dehydratase Asbf Involved in the Petrobactin Synthesis From Bacillus Anthracis

The structure of Crystal Structure of the Probable 3-Dhs Dehydratase Asbf Involved in the Petrobactin Synthesis From Bacillus Anthracis, PDB code: 3dx5 was solved by Y.Kim, N.Maltseva, L.Stols, W.Eschenfeldt, B.F.Pfleger, D.H.Sherman, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.40 / 2.12
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	134.483, 134.483, 72.806, 90.00, 90.00, 120.00
R / Rfree (%)	14.8 / 17.8

The structure of Crystal Structure of the Probable 3-Dhs Dehydratase Asbf Involved in the Petrobactin Synthesis From Bacillus Anthracis also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of the Probable 3-Dhs Dehydratase Asbf Involved in the Petrobactin Synthesis From Bacillus Anthracis (pdb code 3dx5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Probable 3-Dhs Dehydratase Asbf Involved in the Petrobactin Synthesis From Bacillus Anthracis, PDB code: 3dx5:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Probable 3-Dhs Dehydratase Asbf Involved in the Petrobactin Synthesis From Bacillus Anthracis


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 Probable 3-Dhs Dehydratase Asbf Involved in the Petrobactin Synthesis From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl288 b:20.8 occ:1.00 O A:HOH464 2.9 25.1 1.0 O A:MSE44 3.2 11.6 0.5 N A:TYR47 3.3 12.5 1.0 C A:GLN45 3.4 12.9 0.5 C A:GLN45 3.4 14.6 0.5 CA A:GLN45 3.5 12.4 0.5 O A:GLN45 3.6 14.6 0.5 O A:MSE44 3.6 14.0 0.5 N A:GLU46 3.6 12.4 0.5 CB A:TYR47 3.6 11.9 1.0 N A:GLU46 3.6 13.4 0.5 O A:HOH516 3.7 41.2 1.0 O A:GLN45 3.7 12.5 0.5 C A:MSE44 3.7 11.0 0.5 CA A:GLN45 3.8 15.0 0.5 N A:GLN45 3.8 11.6 0.5 N A:GLN45 4.0 13.9 0.5 C A:MSE44 4.0 13.4 0.5 CA A:TYR47 4.1 12.4 1.0 CA A:GLU46 4.2 13.1 0.5 C A:GLU46 4.2 13.1 0.5 C A:GLU46 4.3 13.0 0.5 CA A:GLU46 4.3 13.1 0.5 O A:TYR43 4.3 10.2 1.0 N A:GLU48 4.9 13.2 0.5 CA A:MSE44 4.9 10.7 0.5 N A:GLU48 4.9 12.9 0.5 CB A:GLN45 5.0 12.5 0.5 CG A:TYR47 5.0 12.3 1.0

B.F.Pfleger, Y.Kim, T.D.Nusca, N.Maltseva, J.Y.Lee, C.M.Rath, J.B.Scaglione, B.K.Janes, E.C.Anderson, N.H.Bergman, P.C.Hanna, A.Joachimiak, D.H.Sherman. Structural and Functional Analysis of Asbf: Origin of the Stealth 3,4-Dihydroxybenzoic Acid Subunit For Petrobactin Biosynthesis. Proc.Natl.Acad.Sci.Usa V. 105 17133 2008.
ISSN: ISSN 0027-8424
PubMed: 18955706
DOI: 10.1073/PNAS.0808118105