Chlorine in PDB 4eab: X-Ray Crystal Structure of the H141A Mutant of Gdp-Perosamine N-Acetyl Transferase From Caulobacter Crescentus in Complex with Coa and Gdp- Perosamine

The structure of X-Ray Crystal Structure of the H141A Mutant of Gdp-Perosamine N-Acetyl Transferase From Caulobacter Crescentus in Complex with Coa and Gdp- Perosamine, PDB code: 4eab 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 / 1.35
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	114.968, 114.968, 114.968, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 20.4

The structure of X-Ray Crystal Structure of the H141A Mutant of Gdp-Perosamine N-Acetyl Transferase From Caulobacter Crescentus in Complex with Coa and Gdp- Perosamine also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the X-Ray Crystal Structure of the H141A Mutant of Gdp-Perosamine N-Acetyl Transferase From Caulobacter Crescentus in Complex with Coa and Gdp- Perosamine (pdb code 4eab). 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 X-Ray Crystal Structure of the H141A Mutant of Gdp-Perosamine N-Acetyl Transferase From Caulobacter Crescentus in Complex with Coa and Gdp- Perosamine, PDB code: 4eab:

Chlorine binding site 1 out of 1 in the X-Ray Crystal Structure of the H141A Mutant of Gdp-Perosamine N-Acetyl Transferase From Caulobacter Crescentus in Complex with Coa and Gdp- Perosamine


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 the H141A Mutant of Gdp-Perosamine N-Acetyl Transferase From Caulobacter Crescentus in Complex with Coa and Gdp- Perosamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:19.5 occ:1.00 O A:HOH452 3.0 15.6 1.0 NE A:ARG27 3.1 13.2 1.0 N A:VAL33 3.1 11.9 1.0 NH2 A:ARG27 3.6 14.0 1.0 O A:HOH467 3.6 21.6 1.0 O A:VAL33 3.7 14.6 1.0 CZ A:ARG27 3.8 11.7 1.0 CA A:THR32 3.9 14.6 0.5 CA A:THR32 3.9 13.4 0.5 CB A:VAL33 4.0 12.4 1.0 CA A:VAL33 4.0 11.4 1.0 CG2 A:THR32 4.0 12.2 0.5 C A:THR32 4.0 13.1 1.0 CG A:ARG27 4.0 14.5 1.0 CD A:ARG27 4.1 15.2 1.0 CG2 A:VAL33 4.2 16.5 1.0 C A:VAL33 4.3 13.9 1.0 CB A:THR32 4.3 16.4 0.5 O A:HOH523 4.4 27.2 1.0 O A:HOH513 4.5 33.7 1.0 CB A:THR32 4.5 13.9 0.5 O A:GLU31 4.6 16.4 1.0 CG2 A:THR32 4.8 17.5 0.5 CG2 A:VAL49 5.0 13.6 1.0

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