Sodium in PDB 4tw6: The FK1 Domain of FKBP51 in Complex with IFIT1

All present enzymatic activity of The FK1 Domain of FKBP51 in Complex with IFIT1:
5.2.1.8;

The structure of The FK1 Domain of FKBP51 in Complex with IFIT1, PDB code: 4tw6 was solved by S.Gaali, A.Kirschner, S.Cuboni, J.Hartmann, C.Kozany, G.Balsevich, C.Namendorf, P.Fernandez-Vizarra, O.F.X.Almeida, G.Ruehter, M.Uhr, M.V.Schmidt, C.Touma, A.Bracher, F.Hausch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.995, 48.552, 56.666, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 18.6

The binding sites of Sodium atom in the The FK1 Domain of FKBP51 in Complex with IFIT1 (pdb code 4tw6). 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 The FK1 Domain of FKBP51 in Complex with IFIT1, PDB code: 4tw6:

Sodium binding site 1 out of 1 in the The FK1 Domain of FKBP51 in Complex with IFIT1


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of The FK1 Domain of FKBP51 in Complex with IFIT1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na203 b:32.8 occ:1.00 O A:HOH333 2.1 32.5 1.0 O A:HOH402 2.5 23.8 1.0 NZ A:LYS52 3.3 33.3 1.0 CD A:LYS52 3.5 21.4 1.0 CE A:LYS52 3.9 29.1 1.0 CG1 A:VAL78 4.0 11.9 1.0 OH A:TYR54 4.4 23.9 1.0 CG A:LYS52 4.8 18.2 1.0 O A:HOH403 4.8 28.5 1.0 CB A:VAL78 5.0 10.5 1.0

S.Gaali, A.Kirschner, S.Cuboni, J.Hartmann, C.Kozany, G.Balsevich, C.Namendorf, P.Fernandez-Vizarra, C.Sippel, A.S.Zannas, R.D Draenert, E.B.Binder, O.F.X.Almeida, G.Ruehter, M.Uhr, M.V.Schmidt, C.Touma, A.Bracher, F.Hausch. Selective Inhibitors of the FK506-Binding Protein 51 By Induced Fit Nat.Chem.Biol. 2014.
ISSN: ESSN 1552-4469
DOI: 10.1038/NCHEMBIO.1699