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Chlorine in PDB 6c1j: Crystal Structure of Ketosteroid Isomerase Y32F/Y57F/D40N Mutant From Pseudomonas Putida (Pksi) Bound to 3,4-Dinitrophenol

Enzymatic activity of Crystal Structure of Ketosteroid Isomerase Y32F/Y57F/D40N Mutant From Pseudomonas Putida (Pksi) Bound to 3,4-Dinitrophenol

All present enzymatic activity of Crystal Structure of Ketosteroid Isomerase Y32F/Y57F/D40N Mutant From Pseudomonas Putida (Pksi) Bound to 3,4-Dinitrophenol:
5.3.3.1;

Protein crystallography data

The structure of Crystal Structure of Ketosteroid Isomerase Y32F/Y57F/D40N Mutant From Pseudomonas Putida (Pksi) Bound to 3,4-Dinitrophenol, PDB code: 6c1j was solved by F.Yabukarski, M.M.Pinney, D.Herschlag, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.46 / 1.06
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 35.902, 94.998, 72.910, 90.00, 90.00, 90.00
R / Rfree (%) 12.9 / 15.4

Other elements in 6c1j:

The structure of Crystal Structure of Ketosteroid Isomerase Y32F/Y57F/D40N Mutant From Pseudomonas Putida (Pksi) Bound to 3,4-Dinitrophenol also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Ketosteroid Isomerase Y32F/Y57F/D40N Mutant From Pseudomonas Putida (Pksi) Bound to 3,4-Dinitrophenol (pdb code 6c1j). 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 Ketosteroid Isomerase Y32F/Y57F/D40N Mutant From Pseudomonas Putida (Pksi) Bound to 3,4-Dinitrophenol, PDB code: 6c1j:

Chlorine binding site 1 out of 1 in 6c1j

Go back to Chlorine Binding Sites List in 6c1j
Chlorine binding site 1 out of 1 in the Crystal Structure of Ketosteroid Isomerase Y32F/Y57F/D40N Mutant From Pseudomonas Putida (Pksi) Bound to 3,4-Dinitrophenol


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 Ketosteroid Isomerase Y32F/Y57F/D40N Mutant From Pseudomonas Putida (Pksi) Bound to 3,4-Dinitrophenol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:15.6
occ:0.74
 HG1 A:THR71 2.3 17.6 1.0
O A:HOH362 2.6 19.5 0.4
O A:HOH428 3.0 18.9 0.5
OG1 A:THR71 3.0 14.6 1.0
HB2 A:PRO85 3.3 9.9 1.0
HB A:THR71 3.3 15.2 1.0
O A:HOH362 3.3 20.9 0.6
CB A:THR71 3.6 12.6 1.0
HG21 A:THR71 3.9 18.0 1.0
CB A:PRO85 4.2 8.2 1.0
CG2 A:THR71 4.3 15.0 1.0
HB3 A:PRO85 4.4 9.9 1.0
HG2 A:PRO85 4.8 9.9 1.0
HB3 A:ASP100 4.8 12.6 1.0
HG23 A:THR71 4.9 18.0 1.0
CA A:THR71 4.9 10.3 1.0
O A:THR71 4.9 15.4 1.0

Reference:

M.M.Pinney, A.Natarajan, F.Yabukarski, D.M.Sanchez, F.Liu, R.Liang, T.Doukov, J.P.Schwans, T.J.Martinez, D.Herschlag. Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein. J. Am. Chem. Soc. V. 140 9827 2018.
ISSN: ESSN 1520-5126
PubMed: 29990421
DOI: 10.1021/JACS.8B01596
Page generated: Sat Jul 12 12:13:16 2025

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