Sodium in PDB 2x9n: High Resolution Structure of TBPTR1 in Complex with Cyromazine

All present enzymatic activity of High Resolution Structure of TBPTR1 in Complex with Cyromazine:
1.5.1.33;

The structure of High Resolution Structure of TBPTR1 in Complex with Cyromazine, PDB code: 2x9n was solved by A.Dawson, L.B.Tulloch, K.L.Barrack, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.500, 90.000, 82.400, 90.00, 115.50, 90.00
R / Rfree (%)	12.6 / 15.3

The binding sites of Sodium atom in the High Resolution Structure of TBPTR1 in Complex with Cyromazine (pdb code 2x9n). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the High Resolution Structure of TBPTR1 in Complex with Cyromazine, PDB code: 2x9n:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the High Resolution Structure of TBPTR1 in Complex with Cyromazine


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of High Resolution Structure of TBPTR1 in Complex with Cyromazine within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1272 b:31.4 occ:1.00 O A:ASN36 2.2 12.0 1.0 O A:HOH2093 2.9 33.5 1.0 O A:HOH2095 3.1 40.1 1.0 O A:HOH2104 3.1 32.2 1.0 C A:ASN36 3.4 9.3 1.0 CA A:ASN36 4.1 9.2 1.0 N A:ALA38 4.3 9.8 1.0 CB A:ASN36 4.3 11.3 1.0 O A:HOH2091 4.4 24.2 1.0 O A:HOH2032 4.4 42.5 1.0 N A:SER37 4.5 8.2 1.0 CA A:SER37 4.7 8.4 1.0 O A:HOH2100 4.8 26.3 1.0 CB A:ALA38 4.9 10.8 1.0

Sodium binding site 2 out of 2 in the High Resolution Structure of TBPTR1 in Complex with Cyromazine


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of High Resolution Structure of TBPTR1 in Complex with Cyromazine within 5.0Å range: probe atom residue distance (Å) B Occ D:Na1272 b:26.8 occ:1.00 O D:HOH2136 2.2 28.7 1.0 O D:HOH2155 2.3 30.6 1.0 O D:HOH2129 2.3 18.4 1.0 O D:HOH2132 2.4 20.1 1.0 O D:HOH2050 3.7 40.2 1.0 OG D:SER72 4.2 13.3 1.0 O D:HOH2133 4.2 15.5 1.0 NE2 D:GLN60 4.3 9.8 1.0 O D:HOH2156 4.5 29.6 1.0 O D:HOH2154 4.7 17.1 1.0 CA D:ALA61 4.7 9.0 1.0 O D:HOH2157 4.8 12.6 1.0 O D:GLN60 4.8 9.7 1.0 N D:ASP62 4.9 9.9 1.0

A.Dawson, L.B.Tulloch, K.L.Barrack, W.N.Hunter. High-Resolution Structures of Trypanosoma Brucei Pteridine Reductase Ligand Complexes Inform on the Placement of New Molecular Entities in the Active Site of A Potential Drug Target Acta Crystallogr.,Sect.D V. 66 1334 2010.
ISSN: ISSN 0907-4449
PubMed: 21123874
DOI: 10.1107/S0907444910040886