Chlorine in PDB 4ea8: X-Ray Crystal Structure of Perb From Caulobacter Crescentus in Complex with Coenzyme A and Gdp-N-Acetylperosamine at 1 Angstrom Resolution

The structure of X-Ray Crystal Structure of Perb From Caulobacter Crescentus in Complex with Coenzyme A and Gdp-N-Acetylperosamine at 1 Angstrom Resolution, PDB code: 4ea8 was solved by J.B.Thoden, L.A.Reinhardt, P.D.Cook, P.Menden, W.W.Cleland, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.00
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	115.462, 115.462, 115.462, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 16.6

The binding sites of Chlorine atom in the X-Ray Crystal Structure of Perb From Caulobacter Crescentus in Complex with Coenzyme A and Gdp-N-Acetylperosamine at 1 Angstrom Resolution (pdb code 4ea8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Crystal Structure of Perb From Caulobacter Crescentus in Complex with Coenzyme A and Gdp-N-Acetylperosamine at 1 Angstrom Resolution, PDB code: 4ea8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Crystal Structure of Perb From Caulobacter Crescentus in Complex with Coenzyme A and Gdp-N-Acetylperosamine at 1 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of Perb From Caulobacter Crescentus in Complex with Coenzyme A and Gdp-N-Acetylperosamine at 1 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1003 b:20.8 occ:1.00 O A:HOH4052 2.9 19.1 1.0 O A:HOH4255 2.9 31.3 1.0 N A:VAL33 3.2 12.5 1.0 NE A:ARG27 3.2 13.8 1.0 O A:HOH4094 3.6 26.2 1.0 NH2 A:ARG27 3.6 16.9 1.0 O A:VAL33 3.7 15.3 1.0 CZ A:ARG27 3.8 13.7 1.0 CB A:VAL33 3.9 12.6 1.0 CA A:VAL33 3.9 11.8 1.0 O A:HOH4219 4.0 45.8 1.0 CA A:THR32 4.0 15.2 1.0 C A:THR32 4.0 12.6 1.0 CG A:ARG27 4.1 13.5 1.0 CG2 A:THR32 4.1 25.4 1.0 CD A:ARG27 4.2 15.2 1.0 CG2 A:VAL33 4.3 14.8 1.0 C A:VAL33 4.3 12.5 1.0 O A:HOH4126 4.4 25.3 1.0 O A:HOH4132 4.5 37.3 1.0 O A:GLU31 4.6 16.9 1.0 CB A:THR32 4.7 22.4 1.0 CG2 A:VAL49 5.0 14.9 1.0

Chlorine binding site 2 out of 2 in the X-Ray Crystal Structure of Perb From Caulobacter Crescentus in Complex with Coenzyme A and Gdp-N-Acetylperosamine at 1 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of Perb From Caulobacter Crescentus in Complex with Coenzyme A and Gdp-N-Acetylperosamine at 1 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1004 b:21.8 occ:1.00 O A:HOH4118 3.1 28.2 1.0 N A:ILE210 3.1 11.6 1.0 CA A:LYS209 3.6 11.8 0.6 CA A:LYS209 3.7 11.8 0.4 C A:LYS209 3.9 11.3 1.0 CB A:ILE210 3.9 12.5 1.0 CG A:LYS209 3.9 17.7 0.4 CB A:LYS209 4.0 13.7 0.6 CG1 A:ILE210 4.0 13.3 1.0 CA A:ILE210 4.1 11.6 1.0 CB A:LYS209 4.2 14.6 0.4 CD1 A:ILE210 4.3 14.1 1.0 O A:HOH4206 4.4 52.6 1.0 CG A:LYS209 4.4 16.1 0.6 O A:ALA208 4.7 14.6 1.0 O A:HOH4058 4.7 19.6 1.0 O A:ILE210 4.7 14.0 1.0 N A:LYS209 4.9 11.6 1.0 C A:ILE210 4.9 12.3 1.0 NZ A:LYS209 5.0 37.5 0.6

J.B.Thoden, L.A.Reinhardt, P.D.Cook, P.Menden, W.W.Cleland, H.M.Holden. Catalytic Mechanism of Perosamine N-Acetyltransferase Revealed By High-Resolution X-Ray Crystallographic Studies and Kinetic Analyses. Biochemistry V. 51 3433 2012.
ISSN: ISSN 0006-2960
PubMed: 22443398
DOI: 10.1021/BI300197H