Sodium in PDB 3mqq: The Crystal Structure of the Pas Domain in Complex with Ethanol of A Transcriptional Regulator in the Luxr Family From Burkholderia Thailandensis to 1.65A

The structure of The Crystal Structure of the Pas Domain in Complex with Ethanol of A Transcriptional Regulator in the Luxr Family From Burkholderia Thailandensis to 1.65A, PDB code: 3mqq 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)	33.48 / 1.65
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.438, 35.726, 66.986, 90.00, 91.49, 90.00
R / Rfree (%)	22.4 / 25.7

The binding sites of Sodium atom in the The Crystal Structure of the Pas Domain in Complex with Ethanol of A Transcriptional Regulator in the Luxr Family From Burkholderia Thailandensis to 1.65A (pdb code 3mqq). 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 Ethanol of A Transcriptional Regulator in the Luxr Family From Burkholderia Thailandensis to 1.65A, PDB code: 3mqq:
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 Ethanol of A Transcriptional Regulator in the Luxr Family From Burkholderia Thailandensis to 1.65A


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 Ethanol of A Transcriptional Regulator in the Luxr Family From Burkholderia Thailandensis to 1.65A within 5.0Å range: probe atom residue distance (Å) B Occ A:Na125 b:28.5 occ:1.00 OG A:SER20 2.6 24.6 1.0 O A:HOH135 2.7 38.1 1.0 O A:ALA105 2.9 28.5 1.0 N A:ARG23 3.0 23.4 1.0 O A:LEU104 3.0 30.4 1.0 CB A:SER20 3.3 23.1 1.0 O A:HOH129 3.4 28.9 1.0 N A:ASP22 3.5 25.2 1.0 CA A:ARG23 3.6 21.6 1.0 C A:LEU104 3.7 29.1 1.0 C A:ARG21 3.8 24.1 1.0 N A:ARG21 3.9 23.1 1.0 C A:ALA105 4.0 28.7 1.0 C A:ASP22 4.0 25.2 1.0 CA A:ARG21 4.0 25.1 1.0 C A:SER20 4.0 23.8 1.0 CA A:ASP22 4.1 26.3 1.0 NE1 A:TRP109 4.2 23.3 1.0 CA A:LEU104 4.3 28.7 1.0 CA A:SER20 4.3 21.8 1.0 CE2 A:PHE48 4.4 29.7 1.0 N A:ALA105 4.4 28.2 1.0 CG A:ARG23 4.5 24.7 1.0 O A:ARG21 4.5 23.5 1.0 C A:ARG23 4.5 21.0 1.0 O A:SER20 4.6 24.0 1.0 CA A:ALA105 4.6 29.1 1.0 N A:VAL24 4.6 20.0 1.0 CB A:ARG23 4.6 23.6 1.0 N A:GLY107 4.8 22.5 1.0 CD1 A:TRP109 4.8 20.5 1.0 C2 A:EOH1 4.8 22.7 1.0 CD2 A:PHE48 4.9 25.8 1.0 N A:ALA106 4.9 26.2 1.0

Sodium binding site 2 out of 2 in the The Crystal Structure of the Pas Domain in Complex with Ethanol of A Transcriptional Regulator in the Luxr Family From Burkholderia Thailandensis to 1.65A


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 Ethanol of A Transcriptional Regulator in the Luxr Family From Burkholderia Thailandensis to 1.65A within 5.0Å range: probe atom residue distance (Å) B Occ B:Na1 b:32.5 occ:1.00 O B:ALA105 2.7 33.4 1.0 O B:HOH146 2.7 36.1 1.0 OG B:SER20 2.7 23.3 1.0 O B:LEU104 2.9 34.3 1.0 N B:ARG23 2.9 25.6 1.0 CB B:SER20 3.4 21.4 1.0 N B:ASP22 3.4 28.1 1.0 O B:HOH130 3.5 28.6 1.0 CA B:ARG23 3.6 24.2 1.0 C B:LEU104 3.6 32.9 1.0 C B:ALA105 3.7 32.5 1.0 N B:ARG21 3.7 22.6 1.0 C B:ARG21 3.7 26.4 1.0 CA B:ARG21 3.9 25.8 1.0 C B:ASP22 3.9 27.5 1.0 CA B:ASP22 4.0 29.6 1.0 C B:SER20 4.0 23.1 1.0 N B:ALA105 4.2 32.7 1.0 CA B:ALA105 4.3 32.5 1.0 CA B:LEU104 4.3 32.4 1.0 NE1 B:TRP109 4.3 28.0 1.0 CA B:SER20 4.3 20.8 1.0 O B:ARG21 4.4 26.4 1.0 CG B:ARG23 4.5 26.7 1.0 C B:ARG23 4.6 24.2 1.0 CB B:ARG23 4.6 26.0 1.0 N B:VAL24 4.6 21.5 1.0 CE2 B:PHE48 4.6 33.4 1.0 O B:SER20 4.6 24.2 1.0 N B:ALA106 4.7 31.2 1.0 N B:GLY107 4.7 28.9 1.0 CA B:ALA106 4.9 30.5 1.0 C B:ALA106 4.9 29.4 1.0 CD1 B:TRP109 5.0 24.8 1.0

A.J.Stein, C.Tesar, K.Buck, A.Joachimiak. The Crystal Structure of the Pas Domain in Complex with Ethanol of A Transcriptional Regulator in the Luxr Family From Burkholderia Thailandensis to 1.65A To Be Published.