Sodium in PDB 2ba9: 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: 2ba9 was solved by M.G.Rudoplh, A.Liavonchanka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.37 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	133.707, 60.759, 72.158, 90.00, 115.85, 90.00
R / Rfree (%)	21.3 / 25.9

The binding sites of Sodium atom in the Crystal Structure of Cla-Producing Fatty Acid Isomerase From P. Acnes (pdb code 2ba9). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Cla-Producing Fatty Acid Isomerase From P. Acnes, PDB code: 2ba9:
Jump to Sodium binding site number: 1; 2;

Sodium 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 Sodium with other atoms in the Na 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:Na2001 b:42.0 occ:1.00 O A:HOH2177 2.1 26.4 1.0 OE2 A:GLU410 2.3 32.9 1.0 O A:HOH2242 2.3 31.3 1.0 O A:HOH2098 2.4 24.7 1.0 O A:LYS183 2.5 26.9 1.0 CD A:GLU410 3.4 29.6 1.0 C A:LYS183 3.7 26.0 1.0 OE1 A:GLU410 3.7 30.5 1.0 O A:ASP129 3.9 26.4 1.0 O A:HOH2385 4.0 37.1 1.0 O A:HOH2280 4.0 31.4 1.0 O A:HOH2044 4.1 21.5 1.0 O A:HOH2286 4.1 33.5 1.0 OD2 A:ASP186 4.1 31.3 1.0 O A:HOH2420 4.5 51.4 1.0 CA A:LYS183 4.5 25.9 1.0 CG A:GLU410 4.6 28.4 1.0 O A:HOH2351 4.6 35.0 1.0 CG A:ASP186 4.6 26.4 1.0 N A:TYR184 4.7 25.8 1.0 O A:TYR184 4.7 26.0 1.0 CA A:TYR184 4.9 25.8 1.0 C A:ASP129 5.0 26.4 1.0

Sodium 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 Sodium with other atoms in the Na 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:Na2002 b:38.7 occ:1.00 C33 A:12P1001 2.9 71.3 1.0 C24 A:12P1001 3.1 54.1 1.0 O31 A:12P1001 3.1 68.2 1.0 C32 A:12P1001 3.2 69.9 1.0 O28 A:12P1001 3.2 62.8 1.0 CD1 A:LEU160 3.4 24.2 1.0 O34 A:12P1001 3.6 72.3 1.0 C27 A:12P1001 3.7 60.0 1.0 C23 A:12P1001 3.7 52.9 1.0 C29 A:12P1001 3.9 65.2 1.0 C30 A:12P1001 3.9 66.3 1.0 O25 A:12P1001 3.9 55.8 1.0 CG A:GLU101 3.9 31.7 1.0 C26 A:12P1001 4.0 58.5 1.0 C35 A:12P1001 4.0 72.7 1.0 C21 A:12P1001 4.1 47.8 1.0 CE A:MET111 4.2 37.4 1.0 C20 A:12P1001 4.4 46.2 1.0 O22 A:12P1001 4.4 50.3 1.0 OE2 A:GLU101 4.7 33.9 1.0 CD A:GLU101 4.8 33.4 1.0 CG A:LEU160 4.8 23.1 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