Sodium in PDB 3mqo: The Crystal Structure of the Pas Domain in Complex with Isopropanol of A Transcriptional Regulator in the Luxr Family From Burkholderia Thailandensis to 1.7A

The structure of The Crystal Structure of the Pas Domain in Complex with Isopropanol of A Transcriptional Regulator in the Luxr Family From Burkholderia Thailandensis to 1.7A, PDB code: 3mqo was solved by A.J.Stein, C.Tesar, K.Buck, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.54 / 1.70
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.615, 35.746, 67.096, 90.00, 91.99, 90.00
R / Rfree (%)	22.5 / 24.1

The binding sites of Sodium atom in the The Crystal Structure of the Pas Domain in Complex with Isopropanol of A Transcriptional Regulator in the Luxr Family From Burkholderia Thailandensis to 1.7A (pdb code 3mqo). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the The Crystal Structure of the Pas Domain in Complex with Isopropanol of A Transcriptional Regulator in the Luxr Family From Burkholderia Thailandensis to 1.7A, PDB code: 3mqo:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the The Crystal Structure of the Pas Domain in Complex with Isopropanol of A Transcriptional Regulator in the Luxr Family From Burkholderia Thailandensis to 1.7A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of The Crystal Structure of the Pas Domain in Complex with Isopropanol of A Transcriptional Regulator in the Luxr Family From Burkholderia Thailandensis to 1.7A within 5.0Å range: probe atom residue distance (Å) B Occ A:Na122 b:27.7 occ:1.00 O A:ALA105 2.7 24.7 1.0 O A:HOH156 2.8 25.0 1.0 OG A:SER20 2.8 20.5 1.0 N A:ARG23 2.9 22.8 1.0 O A:LEU104 3.1 27.5 1.0 N A:ASP22 3.4 23.9 1.0 CB A:SER20 3.4 18.1 1.0 CA A:ARG23 3.6 21.8 1.0 C A:LEU104 3.6 26.9 1.0 O A:HOH132 3.7 25.0 1.0 C A:ARG21 3.7 23.0 1.0 C A:ALA105 3.7 25.7 1.0 N A:ARG21 3.7 22.2 1.0 CA A:ARG21 3.9 24.2 1.0 C A:ASP22 3.9 22.9 1.0 C A:SER20 3.9 22.1 1.0 CA A:ASP22 4.0 24.0 1.0 N A:ALA105 4.2 26.2 1.0 CA A:ALA105 4.3 26.9 1.0 CA A:SER20 4.3 18.9 1.0 CA A:LEU104 4.4 27.0 1.0 O A:ARG21 4.4 22.9 1.0 NE1 A:TRP109 4.4 20.3 1.0 O A:SER20 4.4 24.7 1.0 CG A:ARG23 4.4 23.4 1.0 CE2 A:PHE48 4.5 22.6 1.0 CB A:ARG23 4.6 22.1 1.0 C A:ARG23 4.6 20.6 1.0 N A:VAL24 4.6 20.3 1.0 N A:ALA106 4.7 26.7 1.0 N A:GLY107 4.8 23.2 1.0 CD1 A:TRP109 4.9 19.5 1.0 CA A:ALA106 5.0 25.8 1.0 C A:ALA106 5.0 24.9 1.0 C1 A:IPA1 5.0 15.9 1.0

Sodium binding site 2 out of 2 in the The Crystal Structure of the Pas Domain in Complex with Isopropanol of A Transcriptional Regulator in the Luxr Family From Burkholderia Thailandensis to 1.7A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of The Crystal Structure of the Pas Domain in Complex with Isopropanol of A Transcriptional Regulator in the Luxr Family From Burkholderia Thailandensis to 1.7A within 5.0Å range: probe atom residue distance (Å) B Occ B:Na1 b:32.0 occ:1.00 N B:ARG23 2.8 21.9 1.0 O B:HOH134 2.8 23.1 1.0 O B:ALA105 2.8 23.3 1.0 OG B:SER20 2.8 22.6 1.0 O B:LEU104 3.1 24.4 1.0 N B:ASP22 3.3 24.3 1.0 CB B:SER20 3.4 19.1 1.0 CA B:ARG23 3.5 20.2 1.0 C B:ARG21 3.7 23.4 1.0 O B:HOH142 3.7 22.6 1.0 N B:ARG21 3.7 22.1 1.0 C B:LEU104 3.7 23.6 1.0 C B:ALA105 3.8 23.8 1.0 C B:ASP22 3.8 23.0 1.0 CA B:ASP22 3.9 24.6 1.0 C B:SER20 3.9 21.6 1.0 CA B:ARG21 3.9 24.6 1.0 CA B:SER20 4.3 20.0 1.0 N B:ALA105 4.3 23.3 1.0 O B:ARG21 4.3 22.9 1.0 CA B:ALA105 4.4 24.4 1.0 O B:SER20 4.4 23.0 1.0 CG B:ARG23 4.4 22.5 1.0 CA B:LEU104 4.4 24.1 1.0 NE1 B:TRP109 4.5 21.5 1.0 C B:ARG23 4.5 18.6 1.0 N B:VAL24 4.5 19.2 1.0 CB B:ARG23 4.5 20.2 1.0 CE2 B:PHE48 4.6 24.5 1.0 N B:ALA106 4.7 25.2 1.0 N B:GLY107 4.8 20.9 1.0 O B:ASP22 4.9 22.9 1.0 C3 B:IPA122 5.0 14.1 1.0 CD1 B:TRP109 5.0 20.6 1.0 CA B:ALA106 5.0 23.8 1.0

A.J.Stein, C.Tesar, K.Buck, A.Joachimiak. The Crystal Structure of the Pas Domain in Complex with Isopropanol of A Transcriptional Regulator in the Luxr Family From Burkholderia Thailandensis to 1.7A To Be Published.