Sodium in PDB 6w0s: Crystal Structure of Substrate Free Cytochrome P450 NASF5053 From Streptomyces Sp. Nrrl F-5053

The structure of Crystal Structure of Substrate Free Cytochrome P450 NASF5053 From Streptomyces Sp. Nrrl F-5053, PDB code: 6w0s was solved by Z.Luo, X.Jia, C.Sun, X.Qu, B.Kobe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.06 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.208, 91.325, 98.275, 90.00, 96.41, 90.00
R / Rfree (%)	18.6 / 22

The structure of Crystal Structure of Substrate Free Cytochrome P450 NASF5053 From Streptomyces Sp. Nrrl F-5053 also contains other interesting chemical elements:

Bromine	(Br)	4 atoms
Iron	(Fe)	2 atoms
Chlorine	(Cl)	6 atoms

The binding sites of Sodium atom in the Crystal Structure of Substrate Free Cytochrome P450 NASF5053 From Streptomyces Sp. Nrrl F-5053 (pdb code 6w0s). 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 Substrate Free Cytochrome P450 NASF5053 From Streptomyces Sp. Nrrl F-5053, PDB code: 6w0s:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Substrate Free Cytochrome P450 NASF5053 From Streptomyces Sp. Nrrl F-5053


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 Substrate Free Cytochrome P450 NASF5053 From Streptomyces Sp. Nrrl F-5053 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na408 b:27.5 occ:1.00 H A:HIS179 2.3 22.2 1.0 HA A:THR178 3.0 33.8 1.0 N A:HIS179 3.2 18.5 1.0 O A:HOH724 3.2 33.6 1.0 HB A:THR178 3.3 27.3 1.0 HB2 A:HIS179 3.6 33.0 1.0 CA A:THR178 3.7 28.1 1.0 CG A:HIS179 3.7 32.1 1.0 CD2 A:HIS179 3.8 34.7 1.0 HG22 A:THR178 3.9 25.7 1.0 CB A:THR178 3.9 22.8 1.0 C A:THR178 3.9 21.9 1.0 CB A:HIS179 4.0 27.5 1.0 HD2 A:HIS179 4.0 41.6 1.0 ND1 A:HIS179 4.1 38.0 1.0 CA A:HIS179 4.2 23.5 1.0 NE2 A:HIS179 4.2 38.8 1.0 H A:GLU180 4.3 28.1 1.0 CG2 A:THR178 4.3 21.4 1.0 CE1 A:HIS179 4.4 45.7 1.0 HG21 A:THR178 4.7 25.7 1.0 HE2 A:HIS179 4.7 46.6 1.0 HA A:HIS179 4.8 28.2 1.0 HB3 A:HIS179 4.9 33.0 1.0 HE1 A:HIS179 5.0 54.8 1.0 O A:VAL177 5.0 20.6 1.0 N A:GLU180 5.0 23.4 1.0 N A:THR178 5.0 24.3 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Substrate Free Cytochrome P450 NASF5053 From Streptomyces Sp. Nrrl F-5053


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 Substrate Free Cytochrome P450 NASF5053 From Streptomyces Sp. Nrrl F-5053 within 5.0Å range: probe atom residue distance (Å) B Occ B:Na405 b:23.4 occ:1.00 O B:HOH594 2.9 28.0 1.0 O B:HOH831 3.0 31.3 1.0 HG2 B:GLU181 3.1 43.9 1.0 HG3 B:GLU181 3.4 43.9 1.0 CG B:GLU181 3.7 36.6 1.0 OE2 B:GLU181 4.3 46.8 1.0 HA B:GLU181 4.4 27.7 1.0 CD B:GLU181 4.4 41.0 1.0 HB3 B:GLU180 4.4 30.6 1.0 HG1 B:THR178 4.6 29.4 1.0 CB B:GLU181 4.9 25.6 1.0 CA B:GLU181 4.9 23.1 1.0

C.Sun, Z.Luo, W.Zhang, Z.Deng, M.Mobli, B.Kobe, X.Jia, X.Qu. Molecular Basis of Regio- and Stereo-Specificity in Biosynthesis of Bacterial Heterodimeric Diketopiperazines To Be Published.