Sodium in PDB 8qk4: Dehydratase Domain (Pksj DH1) From the Bacillaene Trans-at Pks

The structure of Dehydratase Domain (Pksj DH1) From the Bacillaene Trans-at Pks, PDB code: 8qk4 was solved by F.Pang, L.M.Alkhalaf, M.Jenner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.10 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.905, 84.79, 131.938, 90, 90, 90
R / Rfree (%)	17.6 / 21.6

The structure of Dehydratase Domain (Pksj DH1) From the Bacillaene Trans-at Pks also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Sodium atom in the Dehydratase Domain (Pksj DH1) From the Bacillaene Trans-at Pks (pdb code 8qk4). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Dehydratase Domain (Pksj DH1) From the Bacillaene Trans-at Pks, PDB code: 8qk4:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Dehydratase Domain (Pksj DH1) From the Bacillaene Trans-at Pks


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Dehydratase Domain (Pksj DH1) From the Bacillaene Trans-at Pks within 5.0Å range: probe atom residue distance (Å) B Occ A:Na403 b:41.8 occ:1.00 O3 A:GOL405 2.4 40.1 1.0 O3 A:GOL406 2.6 30.7 1.0 NE2 A:HIS57 2.7 22.7 1.0 O2 A:GOL405 3.1 30.9 1.0 O A:HOH504 3.3 23.8 1.0 CE1 A:HIS57 3.5 21.7 1.0 C3 A:GOL405 3.6 39.5 1.0 CD A:PRO251 3.6 29.3 1.0 OD1 A:ASP229 3.6 28.2 1.0 C2 A:GOL405 3.6 39.5 1.0 C3 A:GOL406 3.6 35.2 1.0 C1 A:GOL405 3.6 40.7 1.0 CG A:PRO251 3.8 26.5 1.0 CD2 A:HIS57 3.8 21.0 1.0 N A:GLY67 4.4 18.8 1.0 CB A:PRO66 4.4 18.9 1.0 CD2 A:LEU250 4.4 34.0 1.0 CG A:ASP229 4.5 24.0 1.0 CA A:PRO66 4.5 17.4 1.0 ND1 A:HIS57 4.6 20.9 1.0 OD2 A:ASP229 4.7 25.9 1.0 CG A:HIS57 4.8 18.7 1.0 O1 A:GOL405 5.0 46.6 1.0 C A:PRO66 5.0 17.9 1.0 N A:PRO251 5.0 26.2 1.0

Sodium binding site 2 out of 2 in the Dehydratase Domain (Pksj DH1) From the Bacillaene Trans-at Pks


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Dehydratase Domain (Pksj DH1) From the Bacillaene Trans-at Pks within 5.0Å range: probe atom residue distance (Å) B Occ A:Na404 b:48.2 occ:1.00 O1 A:GOL405 2.5 46.6 1.0 O A:HOH586 2.7 24.3 1.0 OG1 A:THR236 2.9 29.8 1.0 O A:HOH590 3.4 33.6 1.0 C1 A:GOL405 3.6 40.7 1.0 O A:HOH532 3.8 47.9 1.0 CB A:THR236 3.9 25.2 1.0 C2 A:GOL405 3.9 39.5 1.0 CZ A:PHE176 4.0 23.3 1.0 CG2 A:THR236 4.1 21.2 1.0 CE1 A:HIS187 4.4 20.0 1.0 CE1 A:PHE176 4.4 25.2 1.0 O A:ILE249 4.5 26.8 1.0 CE A:MET240 4.6 44.1 1.0 NH2 A:ARG183 4.6 37.0 1.0 O A:HOH570 4.7 36.4 1.0 CG A:MET185 4.7 24.7 1.0 C3 A:GOL405 4.8 39.5 1.0 CA A:GLN233 4.8 19.3 1.0 CG A:GLN233 4.9 19.0 1.0 O A:GLN233 5.0 20.0 1.0 O2 A:GOL405 5.0 30.9 1.0

F.Pang, L.M.Alkhalaf, M.Jenner. Dehydratase Domain (Pksj DH1) From the Bacillaene Trans-at Pks To Be Published.