Sodium in PDB 2bt3: Agao in Complex with Ruthenium-C4-Wire at 1.73 Angstroms

All present enzymatic activity of Agao in Complex with Ruthenium-C4-Wire at 1.73 Angstroms:
1.4.3.6;

The structure of Agao in Complex with Ruthenium-C4-Wire at 1.73 Angstroms, PDB code: 2bt3 was solved by D.B.Langley, A.P.Duff, H.C.Freeman, J.M.Guss, G.A.Juda, D.M.Dooley, S.M.Contakes, N.W.Halpern-Manners, A.R.Dunn, H.B.Gray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.02 / 1.73
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	158.059, 62.905, 92.097, 90.00, 112.11, 90.00
R / Rfree (%)	15.4 / 17.1

The structure of Agao in Complex with Ruthenium-C4-Wire at 1.73 Angstroms also contains other interesting chemical elements:

Ruthenium	(Ru)	2 atoms
Copper	(Cu)	1 atom

The binding sites of Sodium atom in the Agao in Complex with Ruthenium-C4-Wire at 1.73 Angstroms (pdb code 2bt3). 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 Agao in Complex with Ruthenium-C4-Wire at 1.73 Angstroms, PDB code: 2bt3:

Sodium binding site 1 out of 1 in the Agao in Complex with Ruthenium-C4-Wire at 1.73 Angstroms


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Agao in Complex with Ruthenium-C4-Wire at 1.73 Angstroms within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1630 b:21.0 occ:1.00 O A:MET441 2.3 7.3 1.0 OD1 A:ASP440 2.4 7.9 1.0 OD1 A:ASP581 2.4 11.1 1.0 O A:ILE582 2.4 5.9 1.0 O A:HOH2334 2.7 18.2 1.0 H A:ILE582 2.9 8.1 1.0 HD1 A:PHE446 3.1 13.5 1.0 H A:MET441 3.2 6.5 1.0 N A:ILE582 3.2 8.2 1.0 N A:MET441 3.4 6.4 1.0 C A:MET441 3.4 6.7 1.0 C A:ILE582 3.4 6.6 1.0 HH21 A:ARG49 3.5 20.4 1.0 HA A:ASP581 3.6 10.6 1.0 CG A:ASP440 3.6 10.2 1.0 CG A:ASP581 3.6 15.1 1.0 C A:ASP581 3.8 9.2 1.0 C A:ASP440 3.8 6.7 1.0 CA A:MET441 3.9 6.5 1.0 HB2 A:MET441 3.9 7.2 1.0 HA A:ASP440 3.9 7.3 1.0 HE1 A:PHE446 3.9 15.0 1.0 CA A:ILE582 3.9 6.7 1.0 CD1 A:PHE446 4.0 14.3 1.0 HH22 A:ARG49 4.0 20.4 1.0 HG21 A:VAL583 4.0 7.8 1.0 HB2 A:TYR546 4.0 9.9 1.0 CA A:ASP581 4.1 11.0 1.0 NH2 A:ARG49 4.1 18.6 1.0 CA A:ASP440 4.3 7.9 1.0 CE1 A:PHE446 4.4 13.7 1.0 OD2 A:ASP440 4.4 9.6 1.0 CB A:MET441 4.4 7.2 1.0 O A:ASP440 4.4 6.5 1.0 CB A:ASP581 4.5 12.6 1.0 OD2 A:ASP581 4.5 15.8 1.0 HA A:ILE582 4.5 7.2 1.0 HA A:PHE446 4.5 10.8 1.0 HA A:ALA442 4.5 7.2 1.0 HG12 A:ILE582 4.5 10.0 1.0 CB A:ASP440 4.5 7.0 1.0 N A:ALA442 4.5 6.2 1.0 N A:VAL583 4.6 7.0 1.0 HA A:VAL583 4.6 6.3 1.0 HB2 A:ALA442 4.6 7.5 1.0 HG13 A:ILE582 4.7 10.0 1.0 O A:ASP581 4.7 8.6 1.0 HG22 A:VAL583 4.7 7.8 1.0 HB3 A:ASN273 4.7 9.6 1.0 HA A:MET441 4.7 6.7 1.0 CG2 A:VAL583 4.8 8.7 1.0 O A:PHE446 4.9 12.3 1.0 CB A:TYR546 4.9 10.0 1.0 HB3 A:TYR546 4.9 9.9 1.0 HB3 A:PHE446 4.9 10.9 1.0 CG1 A:ILE582 4.9 9.6 1.0 OD1 A:ASN448 5.0 8.0 1.0 HB2 A:ASN273 5.0 9.6 1.0 CA A:ALA442 5.0 7.0 1.0

S.M.Contakes, G.A.Juda, D.B.Langley, N.W.Halpern-Manners, A.P.Duff, A.R.Dunn, H.B.Gray, D.M.Dooley, J.M.Guss, H.C.Freeman. Reversible Inhibition of Copper Amine Oxidase Activity By Channel-Blocking Ruthenium(II) and Rhenium(I) Molecular Wires. Proc.Natl.Acad.Sci.Usa V. 102 13451 2005.
ISSN: ISSN 0027-8424
PubMed: 16157884
DOI: 10.1073/PNAS.0506336102