Sodium in PDB 2b9w: 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: 2b9w 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)	35.87 / 1.95
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	160.419, 160.419, 160.419, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 19

The binding sites of Sodium atom in the Crystal Structure of Cla-Producing Fatty Acid Isomerase From P. Acnes (pdb code 2b9w). 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: 2b9w:
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:Na1001 b:46.2 occ:0.50 OD1 A:ASP40 2.0 40.7 1.0 CG A:ASP40 2.7 41.5 1.0 OD2 A:ASP40 2.7 48.8 1.0 ND1 A:HIS41 2.8 39.7 1.0 O A:HOH2323 3.3 52.5 0.5 CE1 A:HIS41 3.4 42.2 1.0 CG A:HIS41 3.8 37.0 1.0 CB A:ASP40 4.2 38.3 1.0 CB A:HIS41 4.2 34.9 1.0 O A:HOH2100 4.3 37.5 1.0 NE2 A:HIS41 4.5 41.8 1.0 CD2 A:HIS41 4.7 40.9 1.0 N A:HIS41 4.9 34.6 1.0 CE1 A:HIS47 4.9 37.0 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:Na1002 b:44.5 occ:1.00 O A:HOH2345 2.8 58.3 1.0 O10 A:12P2001 2.8 44.5 1.0 C17 A:12P2001 3.0 40.0 1.0 O13 A:12P2001 3.1 40.7 1.0 O7 A:12P2001 3.3 57.3 1.0 C5 A:12P2001 3.3 58.9 1.0 O16 A:12P2001 3.4 40.3 1.0 C15 A:12P2001 3.4 41.1 1.0 CD1 A:LEU160 3.5 30.4 1.0 C6 A:12P2001 3.5 59.5 1.0 CG A:GLU101 3.6 35.6 1.0 C8 A:12P2001 3.7 53.0 1.0 C12 A:12P2001 3.8 41.3 1.0 C14 A:12P2001 3.8 41.5 1.0 C11 A:12P2001 3.8 42.0 1.0 C9 A:12P2001 3.8 50.2 1.0 CE A:MET111 4.0 44.4 1.0 C18 A:12P2001 4.3 35.9 1.0 CD A:GLU101 4.5 37.1 1.0 OE2 A:GLU101 4.5 38.3 1.0 CB A:GLU101 4.6 34.1 1.0 O4 A:12P2001 4.7 60.9 1.0 CA A:GLU101 4.8 34.7 1.0 O19 A:12P2001 4.9 35.9 1.0 SD A:MET111 4.9 45.4 1.0 CG A:LEU160 5.0 30.1 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