Sodium in PDB 3bmo: Structure of Pteridine Reductase 1 (PTR1) From Trypanosoma Brucei in Ternary Complex with Cofactor (Nadp+) and Inhibitor (Compound AX4)

The structure of Structure of Pteridine Reductase 1 (PTR1) From Trypanosoma Brucei in Ternary Complex with Cofactor (Nadp+) and Inhibitor (Compound AX4), PDB code: 3bmo was solved by V.P.Martini, J.Iulek, W.N.Hunter, L.B.Tulloch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.38 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.730, 90.987, 82.818, 90.00, 115.79, 90.00
R / Rfree (%)	11.8 / 15

The binding sites of Sodium atom in the Structure of Pteridine Reductase 1 (PTR1) From Trypanosoma Brucei in Ternary Complex with Cofactor (Nadp+) and Inhibitor (Compound AX4) (pdb code 3bmo). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Structure of Pteridine Reductase 1 (PTR1) From Trypanosoma Brucei in Ternary Complex with Cofactor (Nadp+) and Inhibitor (Compound AX4), PDB code: 3bmo:

Sodium binding site 1 out of 1 in the Structure of Pteridine Reductase 1 (PTR1) From Trypanosoma Brucei in Ternary Complex with Cofactor (Nadp+) and Inhibitor (Compound AX4)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of Pteridine Reductase 1 (PTR1) From Trypanosoma Brucei in Ternary Complex with Cofactor (Nadp+) and Inhibitor (Compound AX4) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na272 b:29.0 occ:1.00 O A:HOH313 2.1 14.9 1.0 NZ A:LYS258 2.6 11.8 0.5 O D:HOH310 2.8 16.8 1.0 O A:HOH399 3.0 28.6 1.0 NZ A:LYS258 3.0 11.8 0.5 OXT A:ACT270 3.0 27.0 1.0 O A:HOH471 3.1 38.9 1.0 OG A:SER264 3.2 12.2 1.0 O A:ACT270 3.4 24.6 1.0 O A:HOH519 3.5 45.4 1.0 CE A:LYS258 3.6 11.1 0.5 C A:ACT270 3.6 25.1 1.0 O A:HOH377 3.8 25.6 1.0 CD A:LYS258 3.8 8.6 0.5 CE A:LYS258 3.9 13.3 0.5 CB A:SER264 4.0 12.2 1.0 CD A:LYS258 4.1 10.4 0.5 CD2 A:LEU265 4.2 15.2 1.0 O A:HOH395 4.4 28.4 1.0 O A:SER264 4.6 12.0 1.0 C A:SER264 4.8 10.7 1.0 NE2 B:GLN186 5.0 22.0 1.0 O D:ASP165 5.0 12.4 1.0

L.B.Tulloch, V.P.Martini, J.Iulek, J.K.Huggan, J.H.Lee, C.L.Gibson, T.K.Smith, C.J.Suckling, W.N.Hunter. Structure-Based Design of Pteridine Reductase Inhibitors Targeting African Sleeping Sickness and the Leishmaniases. J.Med.Chem. V. 53 221 2010.
ISSN: ISSN 0022-2623
PubMed: 19916554
DOI: 10.1021/JM901059X