Chlorine in PDB 2b9y: Crystal Structure of Cla-Producing Fatty Acid Isomerase From P. Acnes

The structure of Crystal Structure of Cla-Producing Fatty Acid Isomerase From P. Acnes, PDB code: 2b9y was solved by M.G.Rudolph, A.Liavonchanka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.87 / 2.21
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	160.448, 160.448, 160.448, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 20.4

The binding sites of Chlorine atom in the Crystal Structure of Cla-Producing Fatty Acid Isomerase From P. Acnes (pdb code 2b9y). 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 Cla-Producing Fatty Acid Isomerase From P. Acnes, PDB code: 2b9y:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Cla-Producing Fatty Acid Isomerase From P. Acnes


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 Cla-Producing Fatty Acid Isomerase From P. Acnes within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:59.6 occ:1.00 N A:LYS5 3.6 50.0 1.0 CG A:LYS5 3.7 49.8 1.0 O A:HOH1959 3.7 59.7 1.0 CA A:SER4 4.1 52.2 1.0 OG A:SER4 4.1 53.4 1.0 CB A:LYS5 4.2 49.1 1.0 C A:SER4 4.4 50.8 1.0 CA A:LYS5 4.5 49.6 1.0 CB A:SER4 4.6 52.1 1.0 O A:HOH1886 4.6 51.2 1.0 CD A:LYS5 4.7 49.6 1.0 CE A:LYS5 4.8 51.1 1.0 O A:HOH1954 4.8 57.1 1.0 O A:ILE3 4.9 53.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Cla-Producing Fatty Acid Isomerase From P. Acnes


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 Cla-Producing Fatty Acid Isomerase From P. Acnes within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1004 b:50.3 occ:1.00 OH A:TYR297 3.3 30.5 1.0 NE A:ARG88 3.4 43.9 1.0 O A:HOH1638 3.4 36.1 1.0 NH2 A:ARG88 3.5 45.2 1.0 O5 A:BU11501 3.8 46.8 1.0 CZ A:ARG88 3.9 44.6 1.0 CB A:LEU86 3.9 32.3 1.0 CE2 A:TYR297 3.9 30.3 1.0 CZ A:TYR297 4.0 30.8 1.0 C1 A:BU11501 4.1 46.5 1.0 CB A:ARG88 4.3 31.5 1.0 CD1 A:LEU86 4.4 32.6 1.0 CD1 A:LEU198 4.4 29.3 1.0 CE1 A:PHE193 4.4 39.3 1.0 CD A:ARG88 4.5 38.3 1.0 CG A:LEU86 4.5 33.1 1.0 CD2 A:LEU86 4.6 32.5 1.0 CG A:ARG88 4.6 33.3 1.0 CZ A:PHE193 4.7 39.4 1.0 C A:LEU86 4.7 31.8 1.0 N A:ARG87 4.7 32.2 1.0 C A:ARG87 4.8 31.3 1.0 O A:ARG87 4.8 30.7 1.0 CA A:LEU86 4.8 32.4 1.0 N A:ARG88 5.0 31.1 1.0

A.Liavonchanka, E.Hornung, I.Feussner, M.G.Rudolph. Structure and Mechanism of the Propionibacterium Acnes Polyunsaturated Fatty Acid Isomerase Proc.Natl.Acad.Sci.Usa V. 103 2576 2006.
ISSN: ISSN 0027-8424
PubMed: 16477020
DOI: 10.1073/PNAS.0510144103