Sodium in PDB 3uwc: Structure of An Aminotransferase (Degt-Dnrj-ERYC1-Strs Family) From Coxiella Burnetii in Complex with Pmp

The structure of Structure of An Aminotransferase (Degt-Dnrj-ERYC1-Strs Family) From Coxiella Burnetii in Complex with Pmp, PDB code: 3uwc was solved by J.Cheung, M.Franklin, M.Rudolph, M.Cassidy, E.Gary, F.Burshteyn, J.Love, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.00 / 1.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.899, 76.899, 144.630, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 18.8

The binding sites of Sodium atom in the Structure of An Aminotransferase (Degt-Dnrj-ERYC1-Strs Family) From Coxiella Burnetii in Complex with Pmp (pdb code 3uwc). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Structure of An Aminotransferase (Degt-Dnrj-ERYC1-Strs Family) From Coxiella Burnetii in Complex with Pmp, PDB code: 3uwc:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in the Structure of An Aminotransferase (Degt-Dnrj-ERYC1-Strs Family) From Coxiella Burnetii in Complex with Pmp


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of An Aminotransferase (Degt-Dnrj-ERYC1-Strs Family) From Coxiella Burnetii in Complex with Pmp within 5.0Å range: probe atom residue distance (Å) B Occ A:Na373 b:23.3 occ:0.75 O A:HOH481 2.7 29.4 1.0 O A:HOH421 2.8 17.0 0.9 OE1 A:GLU105 2.9 20.5 1.0 CB A:ASP137 3.5 21.2 1.0 CD A:GLU105 3.6 19.7 1.0 CG A:GLU105 3.8 20.1 1.0 CG2 A:VAL109 3.8 16.3 1.0 O A:HOH414 3.8 20.9 0.9 CD A:PRO112 4.0 20.6 1.0 CZ A:ARG275 4.0 18.0 1.0 NH1 A:ARG275 4.0 16.6 1.0 NE A:ARG275 4.1 18.8 1.0 N A:ASP137 4.1 18.4 1.0 CG A:PRO112 4.2 21.4 1.0 CD A:ARG275 4.3 20.7 1.0 O A:ILE110 4.3 18.1 1.0 O A:HOH678 4.3 32.8 0.8 O A:HOH398 4.3 16.4 1.0 OD2 A:ASP137 4.4 26.6 1.0 CA A:ASP137 4.4 21.1 1.0 CG A:ASP137 4.5 24.6 1.0 NH2 A:ARG275 4.5 19.0 1.0 OE2 A:GLU105 4.5 18.7 1.0

Sodium binding site 2 out of 3 in the Structure of An Aminotransferase (Degt-Dnrj-ERYC1-Strs Family) From Coxiella Burnetii in Complex with Pmp


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Structure of An Aminotransferase (Degt-Dnrj-ERYC1-Strs Family) From Coxiella Burnetii in Complex with Pmp within 5.0Å range: probe atom residue distance (Å) B Occ A:Na374 b:31.5 occ:0.54 OD2 A:ASP230 3.0 21.5 1.0 OE1 A:GLN233 3.0 25.7 1.0 CG A:GLN233 3.6 20.7 1.0 OG A:SER190 3.7 23.1 1.0 CD A:GLN233 3.7 22.6 1.0 CB A:SER190 3.7 21.4 1.0 CG A:ASP230 3.9 20.9 1.0 O A:HOH673 3.9 38.7 0.5 CB A:ASP230 4.3 19.8 1.0 CG2 A:ILE232 4.5 21.6 1.0 OD1 A:ASP230 4.8 23.1 1.0 NE2 A:GLN233 5.0 18.7 1.0

Sodium binding site 3 out of 3 in the Structure of An Aminotransferase (Degt-Dnrj-ERYC1-Strs Family) From Coxiella Burnetii in Complex with Pmp


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Structure of An Aminotransferase (Degt-Dnrj-ERYC1-Strs Family) From Coxiella Burnetii in Complex with Pmp within 5.0Å range: probe atom residue distance (Å) B Occ A:Na375 b:27.4 occ:0.82 O A:HOH510 2.9 18.3 0.9 NH1 A:ARG251 3.0 23.3 1.0 OH A:TYR7 3.1 19.7 1.0 C A:LYS184 3.2 20.1 1.0 CA A:LYS184 3.3 18.3 1.0 O A:HOH504 3.4 21.1 0.9 N A:LYS184 3.4 19.6 1.0 N A:ASN185 3.5 19.2 1.0 O A:LYS184 3.6 20.4 1.0 O2 A:EDO376 3.7 24.1 1.0 C A:LEU183 3.7 21.0 1.0 ND1 A:HIS283 3.8 18.3 1.0 CE1 A:TYR7 3.9 19.7 1.0 CB A:LEU183 3.9 19.7 1.0 CE1 A:HIS283 3.9 20.4 1.0 CZ A:TYR7 3.9 20.1 1.0 O A:LEU183 3.9 22.6 1.0 O A:HOH401 4.0 19.4 1.0 O A:HIS283 4.2 16.1 1.0 CZ A:ARG251 4.2 25.2 1.0 CA A:ASN185 4.3 20.4 1.0 CA A:LEU183 4.4 21.9 1.0 O A:HOH429 4.7 17.6 0.8 CB A:LYS184 4.8 19.1 1.0 NH2 A:ARG251 4.8 24.4 1.0 O A:HOH583 4.8 18.4 0.9 CG A:HIS283 4.8 18.2 1.0 C2 A:EDO376 4.9 25.2 1.0 NE2 A:HIS283 4.9 20.2 1.0

M.C.Franklin, J.Cheung, M.J.Rudolph, F.Burshteyn, M.Cassidy, E.Gary, B.Hillerich, Z.K.Yao, P.R.Carlier, M.Totrov, J.D.Love. Structural Genomics For Drug Design Against the Pathogen Coxiella Burnetii. Proteins V. 83 2124 2015.
ISSN: ISSN 0887-3585
PubMed: 26033498
DOI: 10.1002/PROT.24841