Chlorine in PDB 4eaa: X-Ray Crystal Structure of the H141N Mutant of Perosamine N- Acetyltransferase From Caulobacter Crescentus in Complex with Coa and Gdp-Perosamine

The structure of X-Ray Crystal Structure of the H141N Mutant of Perosamine N- Acetyltransferase From Caulobacter Crescentus in Complex with Coa and Gdp-Perosamine, PDB code: 4eaa 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)	40.66 / 1.45
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	115.007, 115.007, 115.007, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 21

The structure of X-Ray Crystal Structure of the H141N Mutant of Perosamine N- Acetyltransferase 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 H141N Mutant of Perosamine N- Acetyltransferase From Caulobacter Crescentus in Complex with Coa and Gdp-Perosamine (pdb code 4eaa). 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 H141N Mutant of Perosamine N- Acetyltransferase From Caulobacter Crescentus in Complex with Coa and Gdp-Perosamine, PDB code: 4eaa:

Chlorine binding site 1 out of 1 in the X-Ray Crystal Structure of the H141N Mutant of Perosamine N- Acetyltransferase 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 H141N Mutant of Perosamine N- Acetyltransferase From Caulobacter Crescentus in Complex with Coa and Gdp-Perosamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:18.8 occ:1.00 O A:HOH433 2.9 15.2 1.0 O A:HOH484 2.9 27.4 1.0 NE A:ARG27 3.1 14.8 1.0 N A:VAL33 3.2 10.9 1.0 NH2 A:ARG27 3.5 12.3 1.0 O A:HOH471 3.5 19.5 1.0 O A:VAL33 3.7 12.7 1.0 CZ A:ARG27 3.8 11.5 1.0 CA A:THR32 3.8 12.9 0.5 CG2 A:THR32 3.9 15.9 0.5 CA A:THR32 3.9 13.9 0.5 CA A:VAL33 4.0 11.4 1.0 CB A:VAL33 4.0 10.8 1.0 C A:THR32 4.0 12.8 1.0 CG A:ARG27 4.0 12.1 1.0 CD A:ARG27 4.1 12.6 1.0 CB A:THR32 4.1 14.6 0.5 C A:VAL33 4.3 11.6 1.0 CG2 A:VAL33 4.3 14.7 1.0 O A:HOH508 4.3 24.9 1.0 CB A:THR32 4.5 14.3 0.5 CG2 A:THR32 4.6 15.3 0.5 O A:HOH495 4.7 28.0 1.0 O A:GLU31 4.7 15.1 1.0 CG2 A:VAL49 4.9 10.9 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