Chlorine in PDB 4kvl: Crystal Structure of Oryza Sativa Fatty Acid Alpha-Dioxygenase Y379F with Palmitic Acid

The structure of Crystal Structure of Oryza Sativa Fatty Acid Alpha-Dioxygenase Y379F with Palmitic Acid, PDB code: 4kvl was solved by G.Zhu, M.Koszelak-Rosenblum, M.G.Malkowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	107.07 / 1.96
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	72.887, 130.202, 188.173, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 18.6

The structure of Crystal Structure of Oryza Sativa Fatty Acid Alpha-Dioxygenase Y379F with Palmitic Acid also contains other interesting chemical elements:

Iron	(Fe)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Oryza Sativa Fatty Acid Alpha-Dioxygenase Y379F with Palmitic Acid (pdb code 4kvl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Oryza Sativa Fatty Acid Alpha-Dioxygenase Y379F with Palmitic Acid, PDB code: 4kvl:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Oryza Sativa Fatty Acid Alpha-Dioxygenase Y379F with Palmitic Acid


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 Oryza Sativa Fatty Acid Alpha-Dioxygenase Y379F with Palmitic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl716 b:30.5 occ:1.00 O A:HOH1003 3.0 29.1 1.0 NE1 A:TRP333 3.1 21.1 1.0 NZ A:LYS309 3.2 23.2 1.0 CE A:LYS309 3.7 23.0 1.0 CA A:LYS584 3.8 26.6 1.0 CD A:LYS309 3.9 19.4 1.0 O A:HOH814 3.9 18.5 1.0 CE1 A:TYR334 4.0 22.2 1.0 CG A:LYS584 4.0 32.5 1.0 CE2 A:TRP333 4.0 21.1 1.0 CD1 A:TRP333 4.1 24.4 1.0 CG1 A:VAL583 4.2 25.2 1.0 O A:VAL583 4.2 24.0 1.0 N A:LYS584 4.2 25.7 1.0 CZ2 A:TRP333 4.3 23.3 1.0 C A:VAL583 4.3 26.1 1.0 OH A:TYR334 4.4 27.1 1.0 CB A:LYS584 4.4 27.8 1.0 CZ A:PHE570 4.4 30.5 1.0 CZ A:TYR334 4.6 25.4 1.0 C A:LYS584 4.7 28.4 1.0 O A:LYS584 4.7 28.9 1.0 OD1 A:ASP343 4.8 32.3 1.0 CE2 A:PHE570 4.8 26.8 1.0 CD1 A:TYR334 4.9 23.3 1.0 O A:HOH1252 4.9 41.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Oryza Sativa Fatty Acid Alpha-Dioxygenase Y379F with Palmitic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Oryza Sativa Fatty Acid Alpha-Dioxygenase Y379F with Palmitic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl717 b:32.3 occ:1.00 O A:HOH898 3.1 22.6 1.0 O A:HOH803 3.2 13.6 1.0 N A:LYS339 3.2 22.1 1.0 NH2 A:ARG330 3.3 25.9 1.0 NE A:ARG330 3.3 21.0 1.0 CA A:GLY338 3.7 20.5 1.0 CZ A:ARG330 3.7 24.6 1.0 CB A:LYS339 3.8 22.7 1.0 C A:GLY338 4.0 23.6 1.0 CD2 A:TYR334 4.1 26.0 1.0 CA A:LYS339 4.1 23.9 1.0 CB A:TYR334 4.3 24.1 1.0 CD A:ARG330 4.5 17.8 1.0 CG A:TYR334 4.5 23.3 1.0 CB A:ARG330 4.5 18.3 1.0 O A:HOH834 4.5 25.6 1.0 CE2 A:TYR334 4.9 24.6 1.0 N A:GLY338 5.0 22.0 1.0 CG A:ARG330 5.0 18.3 1.0

G.Zhu, M.Koszelak-Rosenblum, M.G.Malkowski. Crystal Structures of Alpha-Dioxygenase From Oryza Sativa: Insights Into Substrate Binding and Activation By Hydrogen Peroxide. Protein Sci. V. 22 1432 2013.
ISSN: ISSN 0961-8368
PubMed: 23934749
DOI: 10.1002/PRO.2327